CID 5414045

(z)-4-benzyl-n-(1-(4-nitrophenyl)ethylidene)piperazin-1-amine

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C/C(=N/N1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O2/c1-16(18-7-9-19(10-8-18)23(24)25)20-22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/b20-16-
InChIKey
POPQCWHICGMKLR-SILNSSARSA-N
Compound name
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.181576 180.2
[M+Na]+ 361.163518 182.2
[M-H]- 337.167024 187.1
[M+NH4]+ 356.208123 189.2
[M+K]+ 377.137458 173.7
[M+H-H2O]+ 321.171560 172.9
[M+HCOO]- 383.172501 199.8
[M+CH3COO]- 397.188151 209.8
[M+Na-2H]- 359.148966 185.1
[M]+ 338.17375142 174.1
[M]- 338.17484858 174.1
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.