CID 135635860

3-(1h-1,2,3-benzotriazol-1-yl)n'-(3-ethoxy-4-hydroxybenzylidene)propanohydrazide

Structural Information

Molecular Formula
C18H19N5O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2)O
InChI
InChI=1S/C18H19N5O3/c1-2-26-17-11-13(7-8-16(17)24)12-19-21-18(25)9-10-23-15-6-4-3-5-14(15)20-22-23/h3-8,11-12,24H,2,9-10H2,1H3,(H,21,25)/b19-12+
InChIKey
YEXQRNMISYWOMW-XDHOZWIPSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

353.1488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 181.2
[M+Na]+ 376.13802 189.1
[M-H]- 352.14152 185.6
[M+NH4]+ 371.18262 192.2
[M+K]+ 392.11196 184.2
[M+H-H2O]+ 336.14606 170.6
[M+HCOO]- 398.14700 204.2
[M+CH3COO]- 412.16265 217.1
[M+Na-2H]- 374.12347 186.8
[M]+ 353.14825 186.0
[M]- 353.14935 186.0
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.