PubChemLite - Bms-561392 (C27H32N4O4)

Structural Information

Molecular Formula

SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](CC(C)C)C(=O)NO)N

InChI

InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1

InChIKey

QVNZBDLTUKCPGJ-SHQCIBLASA-N

Compound name

(2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	477.24965	215.7
[M+Na]+	499.23159	219.0
[M-H]-	475.23509	221.6
[M+NH4]+	494.27619	223.3
[M+K]+	515.20553	214.5
[M+H-H2O]+	459.23963	205.4
[M+HCOO]-	521.24057	229.8
[M+CH3COO]-	535.25622	242.2
[M+Na-2H]-	497.21704	212.8
[M]+	476.24182	215.0
[M]-	476.24292	215.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.24965

215.7

[M+Na]+

499.23159

219.0

[M-H]-

475.23509

221.6

[M+NH4]+

494.27619

223.3

[M+K]+

515.20553

214.5

[M+H-H2O]+

459.23963

205.4

[M+HCOO]-

521.24057

229.8

[M+CH3COO]-

535.25622

242.2

[M+Na-2H]-

497.21704

212.8

[M]+

476.24182

215.0

[M]-

476.24292

215.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bms-561392

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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