PubChemLite - Bms-986142 (C32H30F2N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)C[C@H](CC6)C(C)(C)O)C(=O)N)F

InChI

InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1

InChIKey

ZRYMMWAJAFUANM-INIZCTEOSA-N

Compound name

(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

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]+	573.23078	243.2
[M+Na]+	595.21272	256.3
[M+NH4]+	590.25732	246.0
[M+K]+	611.18666	251.4
[M-H]-	571.21622	244.9
[M+Na-2H]-	593.19817	244.6
[M]+	572.22295	245.4
[M]-	572.22405	245.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.23078

243.2

[M+Na]+

595.21272

256.3

[M+NH4]+

590.25732

246.0

[M+K]+

611.18666

251.4

[M-H]-

571.21622

244.9

[M+Na-2H]-

593.19817

244.6

[M]+

572.22295

245.4

[M]-

572.22405

245.4

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

Bms-986142

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe