CID 221492

Benzophenone (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C19H14N4O4
SMILES
C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C19H14N4O4/c24-22(25)16-11-12-17(18(13-16)23(26)27)20-21-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,20H
InChIKey
JSSSSIRXRJUGAL-UHFFFAOYSA-N
Compound name
N-(benzhydrylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

362.1015 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10878 185.1
[M+Na]+ 385.09072 199.6
[M+NH4]+ 380.13532 192.2
[M+K]+ 401.06466 196.6
[M-H]- 361.09422 195.0
[M+Na-2H]- 383.07617 195.4
[M]+ 362.10095 189.7
[M]- 362.10205 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe