CID 207565

Benzamide, 4-(acetylamino)-5-chloro-2-methoxy-n-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C21H26ClN5O3
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)Cl
InChI
InChI=1S/C21H26ClN5O3/c1-15(28)25-18-14-19(30-2)16(13-17(18)22)21(29)24-7-8-26-9-11-27(12-10-26)20-5-3-4-6-23-20/h3-6,13-14H,7-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKey
VUSLPLDZZMFLPU-UHFFFAOYSA-N
Compound name
4-acetamido-5-chloro-2-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.17242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17970 202.6
[M+Na]+ 454.16164 206.6
[M-H]- 430.16514 207.2
[M+NH4]+ 449.20624 207.8
[M+K]+ 470.13558 200.8
[M+H-H2O]+ 414.16968 190.8
[M+HCOO]- 476.17062 214.0
[M+CH3COO]- 490.18627 231.6
[M+Na-2H]- 452.14709 202.5
[M]+ 431.17187 202.7
[M]- 431.17297 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe