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]+ 354.156076 181.2
[M+Na]+ 376.138018 189.1
[M-H]- 352.141524 185.6
[M+NH4]+ 371.182623 192.2
[M+K]+ 392.111958 184.2
[M+H-H2O]+ 336.146060 170.6
[M+HCOO]- 398.147001 204.2
[M+CH3COO]- 412.162651 217.1
[M+Na-2H]- 374.123466 186.8
[M]+ 353.14825142 186.0
[M]- 353.14934858 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.