CID 5746883

4-nitrobenzoic acid 2-(4-((diethylamino)carbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C18H20N4O4
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O4/c1-3-21(4-2)18(24)14-5-9-15(10-6-14)19-20-17(23)13-7-11-16(12-8-13)22(25)26/h5-12,19H,3-4H2,1-2H3,(H,20,23)
InChIKey
COEBJWQDPIOQED-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-(4-nitrobenzoyl)hydrazinyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 181.6
[M+Na]+ 379.13769 183.6
[M-H]- 355.14119 188.9
[M+NH4]+ 374.18229 192.3
[M+K]+ 395.11163 178.0
[M+H-H2O]+ 339.14573 176.3
[M+HCOO]- 401.14667 207.7
[M+CH3COO]- 415.16232 218.3
[M+Na-2H]- 377.12314 185.7
[M]+ 356.14792 180.4
[M]- 356.14902 180.4
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.