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]+ 354.19246 184.4
[M+Na]+ 376.17440 186.9
[M-H]- 352.17790 188.4
[M+NH4]+ 371.21900 191.1
[M+K]+ 392.14834 181.8
[M+H-H2O]+ 336.18244 172.4
[M+HCOO]- 398.18338 200.3
[M+CH3COO]- 412.19903 217.7
[M+Na-2H]- 374.15985 186.3
[M]+ 353.18463 178.4
[M]- 353.18573 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.