CID 6866690

452089-86-0

Structural Information

Molecular Formula
C19H19N5O2
SMILES
COC1=CC=CC=C1/C=C/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C19H19N5O2/c1-26-18-11-5-2-7-15(18)8-6-13-20-22-19(25)12-14-24-17-10-4-3-9-16(17)21-23-24/h2-11,13H,12,14H2,1H3,(H,22,25)/b8-6+,20-13+
InChIKey
HICHQUGAMVZNPL-XIXYXBKTSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

349.15387 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 182.6
[M+Na]+ 372.14309 195.1
[M+NH4]+ 367.18769 188.0
[M+K]+ 388.11703 189.2
[M-H]- 348.14659 185.5
[M+Na-2H]- 370.12854 190.0
[M]+ 349.15332 184.8
[M]- 349.15442 184.8
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.