CID 6477944

(2e)-2-benzotriazolyl-4,4-diphenylbut-2-enenitrile

Structural Information

Molecular Formula
C22H16N4
SMILES
C1=CC=C(C=C1)C(/C=C(\C#N)/N2C3=CC=CC=C3N=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H16N4/c23-16-19(26-22-14-8-7-13-21(22)24-25-26)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,20H/b19-15+
InChIKey
SXXHDSHYOOTFAC-XDJHFCHBSA-N
Compound name
(E)-2-(benzotriazol-1-yl)-4,4-diphenylbut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13748 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14476 185.8
[M+Na]+ 359.12670 195.0
[M-H]- 335.13020 188.7
[M+NH4]+ 354.17130 194.8
[M+K]+ 375.10064 184.2
[M+H-H2O]+ 319.13474 167.1
[M+HCOO]- 381.13568 200.3
[M+CH3COO]- 395.15133 192.9
[M+Na-2H]- 357.11215 188.3
[M]+ 336.13693 179.4
[M]- 336.13803 179.4
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.