CID 5338248

26112-94-7

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C15H11N3O/c19-15(11-10-12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16-17-18/h1-11H/b11-10+
InChIKey
OYYVHLPZRRNXJQ-ZHACJKMWSA-N
Compound name
(E)-1-(benzotriazol-1-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

249.09021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.097486 155.9
[M+Na]+ 272.079428 165.8
[M-H]- 248.082934 160.0
[M+NH4]+ 267.124033 171.5
[M+K]+ 288.053368 160.1
[M+H-H2O]+ 232.087470 146.3
[M+HCOO]- 294.088411 177.5
[M+CH3COO]- 308.104061 168.1
[M+Na-2H]- 270.064876 162.7
[M]+ 249.08966142 157.4
[M]- 249.09075858 157.4
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