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]+ 357.155746 181.6
[M+Na]+ 379.137688 183.6
[M-H]- 355.141194 188.9
[M+NH4]+ 374.182293 192.3
[M+K]+ 395.111628 178.0
[M+H-H2O]+ 339.145730 176.3
[M+HCOO]- 401.146671 207.7
[M+CH3COO]- 415.162321 218.3
[M+Na-2H]- 377.123136 185.7
[M]+ 356.14792142 180.4
[M]- 356.14901858 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.