CID 5747333

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

Structural Information

Molecular Formula
C19H19N5O6
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H19N5O6/c25-18(14-10-16(23(27)28)12-17(11-14)24(29)30)21-20-15-6-4-13(5-7-15)19(26)22-8-2-1-3-9-22/h4-7,10-12,20H,1-3,8-9H2,(H,21,25)
InChIKey
FESJDGLWBOPXHQ-UHFFFAOYSA-N
Compound name
3,5-dinitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.13354 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14082 188.9
[M+Na]+ 436.12276 187.3
[M-H]- 412.12626 195.5
[M+NH4]+ 431.16736 193.4
[M+K]+ 452.09670 176.5
[M+H-H2O]+ 396.13080 186.4
[M+HCOO]- 458.13174 208.7
[M+CH3COO]- 472.14739 215.4
[M+Na-2H]- 434.10821 194.9
[M]+ 413.13299 179.9
[M]- 413.13409 179.9
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.