CID 135842088

3-ethoxy-4-hydroxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)N)O
InChI
InChI=1S/C10H13N3O3/c1-2-16-9-5-7(3-4-8(9)14)6-12-13-10(11)15/h3-6,14H,2H2,1H3,(H3,11,13,15)/b12-6+
InChIKey
HMTVQUUAXWCREQ-WUXMJOGZSA-N
Compound name
[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 147.4
[M+Na]+ 246.084908 153.8
[M-H]- 222.088414 150.9
[M+NH4]+ 241.129513 164.6
[M+K]+ 262.058848 152.2
[M+H-H2O]+ 206.092950 140.2
[M+HCOO]- 268.093891 174.1
[M+CH3COO]- 282.109541 195.3
[M+Na-2H]- 244.070356 152.2
[M]+ 223.09514142 147.2
[M]- 223.09623858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.