CID 6437601

5516-20-1

Structural Information

Molecular Formula
C25H15ClN4
SMILES
C1=CC=C2C(=C1)C=CC3=NN(N=C32)C4=CC(=C(C=C4)/C=C/C5=CC=C(C=C5)Cl)C#N
InChI
InChI=1S/C25H15ClN4/c26-21-11-6-17(7-12-21)5-8-18-9-13-22(15-20(18)16-27)30-28-24-14-10-19-3-1-2-4-23(19)25(24)29-30/h1-15H/b8-5+
InChIKey
VZMOHDAVPDNZFE-VMPITWQZSA-N
Compound name
5-benzo[e]benzotriazol-2-yl-2-[(E)-2-(4-chlorophenyl)ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

406.0985 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10578 204.9
[M+Na]+ 429.08772 219.0
[M-H]- 405.09122 208.9
[M+NH4]+ 424.13232 213.9
[M+K]+ 445.06166 204.0
[M+H-H2O]+ 389.09576 186.1
[M+HCOO]- 451.09670 215.6
[M+CH3COO]- 465.11235 212.1
[M+Na-2H]- 427.07317 206.6
[M]+ 406.09795 202.7
[M]- 406.09905 202.7
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.