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]+ 460.19792 206.3
[M+Na]+ 482.17986 206.2
[M-H]- 458.18336 214.9
[M+NH4]+ 477.22446 208.6
[M+K]+ 498.15380 197.0
[M+H-H2O]+ 442.18790 197.3
[M+HCOO]- 504.18884 223.7
[M+CH3COO]- 518.20449 232.2
[M+Na-2H]- 480.16531 209.5
[M]+ 459.19009 199.1
[M]- 459.19119 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.