CID 5747328

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

Structural Information

Molecular Formula
C18H19N5O6
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H19N5O6/c1-3-21(4-2)18(25)12-5-7-14(8-6-12)19-20-17(24)13-9-15(22(26)27)11-16(10-13)23(28)29/h5-11,19H,3-4H2,1-2H3,(H,20,24)
InChIKey
PIJLSHWHXPTMNY-UHFFFAOYSA-N
Compound name
4-[2-(3,5-dinitrobenzoyl)hydrazinyl]-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13354 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14082 189.0
[M+Na]+ 424.12276 189.5
[M-H]- 400.12626 195.9
[M+NH4]+ 419.16736 196.4
[M+K]+ 440.09670 180.4
[M+H-H2O]+ 384.13080 187.6
[M+HCOO]- 446.13174 214.7
[M+CH3COO]- 460.14739 220.2
[M+Na-2H]- 422.10821 194.3
[M]+ 401.13299 186.1
[M]- 401.13409 186.1
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.