CID 9664895

303105-97-7

Structural Information

Molecular Formula
C19H23N5O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C/C3=CC=CC=N3
InChI
InChI=1S/C19H23N5O/c25-19(22-21-14-18-8-4-5-9-20-18)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,22,25)/b21-14+
InChIKey
NDAWECOIKHWATP-KGENOOAVSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.19025 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 180.9
[M+Na]+ 360.17947 183.3
[M-H]- 336.18297 186.0
[M+NH4]+ 355.22407 189.0
[M+K]+ 376.15341 178.0
[M+H-H2O]+ 320.18751 168.0
[M+HCOO]- 382.18845 199.6
[M+CH3COO]- 396.20410 215.5
[M+Na-2H]- 358.16492 185.8
[M]+ 337.18970 176.2
[M]- 337.19080 176.2
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.