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 147.4
[M+Na]+ 246.08491 153.8
[M-H]- 222.08841 150.9
[M+NH4]+ 241.12951 164.6
[M+K]+ 262.05885 152.2
[M+H-H2O]+ 206.09295 140.2
[M+HCOO]- 268.09389 174.1
[M+CH3COO]- 282.10954 195.3
[M+Na-2H]- 244.07036 152.2
[M]+ 223.09514 147.2
[M]- 223.09624 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.