CID 13118157

104373-79-7

Structural Information

Molecular Formula
C19H23N5O2
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=N3
InChI
InChI=1S/C19H23N5O2/c20-19(26)15-4-6-16(7-5-15)22-18(25)8-10-23-11-13-24(14-12-23)17-3-1-2-9-21-17/h1-7,9H,8,10-14H2,(H2,20,26)(H,22,25)
InChIKey
APTJCVQJOGFKLZ-UHFFFAOYSA-N
Compound name
4-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.18518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.192456 184.4
[M+Na]+ 376.174398 186.9
[M-H]- 352.177904 188.4
[M+NH4]+ 371.219003 191.1
[M+K]+ 392.148338 181.8
[M+H-H2O]+ 336.182440 172.4
[M+HCOO]- 398.183381 200.3
[M+CH3COO]- 412.199031 217.7
[M+Na-2H]- 374.159846 186.3
[M]+ 353.18463142 178.4
[M]- 353.18572858 178.4
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

No patent data available for this compound.