CID 13118152

1-piperazinepropanamide, n-(4-(((methylamino)carbonyl)amino)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C20H26N6O2
SMILES
CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H26N6O2/c1-21-20(28)24-17-7-5-16(6-8-17)23-19(27)9-11-25-12-14-26(15-13-25)18-4-2-3-10-22-18/h2-8,10H,9,11-15H2,1H3,(H,23,27)(H2,21,24,28)
InChIKey
IIWDDTHKTWRXAG-UHFFFAOYSA-N
Compound name
N-[4-(methylcarbamoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.21173 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 192.0
[M+Na]+ 405.20095 201.4
[M+NH4]+ 400.24555 196.5
[M+K]+ 421.17489 195.6
[M-H]- 381.20445 196.4
[M+Na-2H]- 403.18640 199.1
[M]+ 382.21118 194.0
[M]- 382.21228 194.0
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