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

41771
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 192.4
[M+Na]+ 418.07580 197.3
[M+NH4]+ 413.12040 200.3
[M+K]+ 434.04974 204.9
[M-H]- 394.07930 189.3
[M+Na-2H]- 416.06125 189.1
[M]+ 395.08603 194.1
[M]- 395.08713 194.1
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