CID 5746884

4-nitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C25H25N5O4
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H25N5O4/c1-18-3-2-4-23(17-18)28-13-15-29(16-14-28)25(32)20-5-9-21(10-6-20)26-27-24(31)19-7-11-22(12-8-19)30(33)34/h2-12,17,26H,13-16H2,1H3,(H,27,31)
InChIKey
DNLNFMHVTWZTQF-UHFFFAOYSA-N
Compound name
N'-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-4-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.19064 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.197916 206.3
[M+Na]+ 482.179858 206.2
[M-H]- 458.183364 214.9
[M+NH4]+ 477.224463 208.6
[M+K]+ 498.153798 197.0
[M+H-H2O]+ 442.187900 197.3
[M+HCOO]- 504.188841 223.7
[M+CH3COO]- 518.204491 232.2
[M+Na-2H]- 480.165306 209.5
[M]+ 459.19009142 199.1
[M]- 459.19118858 199.1
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.