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 176.9
[M+Na]+ 362.12237 185.2
[M-H]- 338.12587 181.4
[M+NH4]+ 357.16697 188.4
[M+K]+ 378.09631 180.5
[M+H-H2O]+ 322.13041 166.4
[M+HCOO]- 384.13135 200.2
[M+CH3COO]- 398.14700 214.2
[M+Na-2H]- 360.10782 182.9
[M]+ 339.13260 181.3
[M]- 339.13370 181.3
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.