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 182.2
[M+Na]+ 372.14309 189.7
[M-H]- 348.14659 187.3
[M+NH4]+ 367.18769 193.8
[M+K]+ 388.11703 184.1
[M+H-H2O]+ 332.15113 170.9
[M+HCOO]- 394.15207 206.3
[M+CH3COO]- 408.16772 217.6
[M+Na-2H]- 370.12854 188.1
[M]+ 349.15332 186.4
[M]- 349.15442 186.4
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

No patent data available for this compound.