PubChemLite - Ypaoamide c (C22H33ClN2O4)

Structural Information

Molecular Formula

SMILES

C[C@H]1C=CC(=O)N1C(=O)/C=C(\C/C(=C/Cl)/CNC(=O)CCCCC(C)(C)C)/OC

InChI

InChI=1S/C22H33ClN2O4/c1-16-9-10-20(27)25(16)21(28)13-18(29-5)12-17(14-23)15-24-19(26)8-6-7-11-22(2,3)4/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3,(H,24,26)/b17-14-,18-13+/t16-/m0/s1

InChIKey

XXFDGELVIZKSQK-UOEFSQSHSA-N

Compound name

N-[(E,2Z)-2-(chloromethylidene)-4-methoxy-6-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-6-oxohex-4-enyl]-6,6-dimethylheptanamide

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]+	425.22018	206.6
[M+Na]+	447.20212	210.0
[M-H]-	423.20562	207.7
[M+NH4]+	442.24672	218.0
[M+K]+	463.17606	205.1
[M+H-H2O]+	407.21016	200.3
[M+HCOO]-	469.21110	217.9
[M+CH3COO]-	483.22675	228.3
[M+Na-2H]-	445.18757	200.4
[M]+	424.21235	212.0
[M]-	424.21345	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.22018

206.6

[M+Na]+

447.20212

210.0

[M-H]-

423.20562

207.7

[M+NH4]+

442.24672

218.0

[M+K]+

463.17606

205.1

[M+H-H2O]+

407.21016

200.3

[M+HCOO]-

469.21110

217.9

[M+CH3COO]-

483.22675

228.3

[M+Na-2H]-

445.18757

200.4

[M]+

424.21235

212.0

[M]-

424.21345

212.0

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

Ypaoamide c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe