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]+ 340.140426 176.9
[M+Na]+ 362.122368 185.2
[M-H]- 338.125874 181.4
[M+NH4]+ 357.166973 188.4
[M+K]+ 378.096308 180.5
[M+H-H2O]+ 322.130410 166.4
[M+HCOO]- 384.131351 200.2
[M+CH3COO]- 398.147001 214.2
[M+Na-2H]- 360.107816 182.9
[M]+ 339.13260142 181.3
[M]- 339.13369858 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.