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]+ 402.140816 189.0
[M+Na]+ 424.122758 189.5
[M-H]- 400.126264 195.9
[M+NH4]+ 419.167363 196.4
[M+K]+ 440.096698 180.4
[M+H-H2O]+ 384.130800 187.6
[M+HCOO]- 446.131741 214.7
[M+CH3COO]- 460.147391 220.2
[M+Na-2H]- 422.108206 194.3
[M]+ 401.13299142 186.1
[M]- 401.13408858 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.