CID 74358

1,1-diphenyl-2-picrylhydrazine

Structural Information

Molecular Formula
C18H13N5O6
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H
InChIKey
WCBPJVKVIMMEQC-UHFFFAOYSA-N
Compound name
1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

41990
Patents

395.08658 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.09386 187.0
[M+Na]+ 418.07580 186.3
[M-H]- 394.07930 195.8
[M+NH4]+ 413.12040 192.5
[M+K]+ 434.04974 172.3
[M+H-H2O]+ 378.08384 187.9
[M+HCOO]- 440.08478 212.3
[M+CH3COO]- 454.10043 212.2
[M+Na-2H]- 416.06125 196.5
[M]+ 395.08603 180.6
[M]- 395.08713 180.6
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