CID 5747324

Benzoic acid, 3,5-dinitro-, 2-(4-((4-phenyl-1-piperazinyl)carbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C24H22N6O6
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C24H22N6O6/c31-23(18-14-21(29(33)34)16-22(15-18)30(35)36)26-25-19-8-6-17(7-9-19)24(32)28-12-10-27(11-13-28)20-4-2-1-3-5-20/h1-9,14-16,25H,10-13H2,(H,26,31)
InChIKey
IMHTUOSOPKYEID-UHFFFAOYSA-N
Compound name
3,5-dinitro-N'-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1601 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.16738 206.8
[M+Na]+ 513.14932 203.9
[M-H]- 489.15282 214.8
[M+NH4]+ 508.19392 206.1
[M+K]+ 529.12326 191.9
[M+H-H2O]+ 473.15736 201.6
[M+HCOO]- 535.15830 224.3
[M+CH3COO]- 549.17395 230.2
[M+Na-2H]- 511.13477 213.2
[M]+ 490.15955 197.4
[M]- 490.16065 197.4
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.