CID 5288260

3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile

Structural Information

Molecular Formula
C16H13N7
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N/C=C(/C#N)\C3=NNN=N3
InChI
InChI=1S/C16H13N7/c17-10-12(16-20-22-23-21-16)11-18-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9,11,18-19H,(H,20,21,22,23)/b12-11-
InChIKey
FLPLCJJGNZGOAW-QXMHVHEDSA-N
Compound name
(Z)-3-(4-anilinoanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

303.12323 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13051 169.9
[M+Na]+ 326.11245 176.6
[M-H]- 302.11595 169.9
[M+NH4]+ 321.15705 176.8
[M+K]+ 342.08639 169.0
[M+H-H2O]+ 286.12049 150.8
[M+HCOO]- 348.12143 185.5
[M+CH3COO]- 362.13708 176.5
[M+Na-2H]- 324.09790 174.4
[M]+ 303.12268 160.0
[M]- 303.12378 160.0
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