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]+ 224.10297 149.1
[M+Na]+ 246.08491 157.7
[M+NH4]+ 241.12951 154.9
[M+K]+ 262.05885 153.4
[M-H]- 222.08841 150.7
[M+Na-2H]- 244.07036 153.5
[M]+ 223.09514 150.2
[M]- 223.09624 150.2
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.