CID 5746881

4-nitrobenzoic acid 2-(4-(1-piperidinylcarbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C19H20N4O4
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O4/c24-18(14-6-10-17(11-7-14)23(26)27)21-20-16-8-4-15(5-9-16)19(25)22-12-2-1-3-13-22/h4-11,20H,1-3,12-13H2,(H,21,24)
InChIKey
LYTDYEYGPHENOG-UHFFFAOYSA-N
Compound name
4-nitro-N'-[4-(piperidine-1-carbonyl)phenyl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14847 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 181.7
[M+Na]+ 391.13769 182.0
[M-H]- 367.14119 188.6
[M+NH4]+ 386.18229 189.5
[M+K]+ 407.11163 174.4
[M+H-H2O]+ 351.14573 175.3
[M+HCOO]- 413.14667 201.7
[M+CH3COO]- 427.16232 213.0
[M+Na-2H]- 389.12314 186.1
[M]+ 368.14792 174.1
[M]- 368.14902 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.