CID 135517146

326002-04-4

Structural Information

Molecular Formula
C17H17N5O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2)O
InChI
InChI=1S/C17H17N5O3/c1-25-16-10-12(6-7-15(16)23)11-18-20-17(24)8-9-22-14-5-3-2-4-13(14)19-21-22/h2-7,10-11,23H,8-9H2,1H3,(H,20,24)/b18-11+
InChIKey
XJJCRRLPKZYMOX-WOJGMQOQSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.13315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14043 178.2
[M+Na]+ 362.12237 190.4
[M+NH4]+ 357.16697 183.3
[M+K]+ 378.09631 186.2
[M-H]- 338.12587 180.6
[M+Na-2H]- 360.10782 184.9
[M]+ 339.13260 180.2
[M]- 339.13370 180.2
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.