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]+ 338.197526 180.9
[M+Na]+ 360.179468 183.3
[M-H]- 336.182974 186.0
[M+NH4]+ 355.224073 189.0
[M+K]+ 376.153408 178.0
[M+H-H2O]+ 320.187510 168.0
[M+HCOO]- 382.188451 199.6
[M+CH3COO]- 396.204101 215.5
[M+Na-2H]- 358.164916 185.8
[M]+ 337.18970142 176.2
[M]- 337.19079858 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.