CID 6475355

(e)-2-(benzotriazol-1-yl)-3-(4-phenylphenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C21H14N4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C(\C#N)/N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C21H14N4/c22-15-19(25-21-9-5-4-8-20(21)23-24-25)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H/b19-14+
InChIKey
ZBVLSJAMMXWSET-XMHGGMMESA-N
Compound name
(E)-2-(benzotriazol-1-yl)-3-(4-phenylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.12186 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12914 181.7
[M+Na]+ 345.11108 192.6
[M-H]- 321.11458 185.1
[M+NH4]+ 340.15568 191.7
[M+K]+ 361.08502 181.6
[M+H-H2O]+ 305.11912 163.3
[M+HCOO]- 367.12006 197.5
[M+CH3COO]- 381.13571 189.8
[M+Na-2H]- 343.09653 185.1
[M]+ 322.12131 176.0
[M]- 322.12241 176.0
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

No patent data available for this compound.