CID 235189

2,3-dimethoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C10H13N3O3
SMILES
COC1=CC=CC(=C1OC)C=NNC(=O)N
InChI
InChI=1S/C10H13N3O3/c1-15-8-5-3-4-7(9(8)16-2)6-12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)
InChIKey
ODCDIBNSAFJIID-UHFFFAOYSA-N
Compound name
[(2,3-dimethoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 147.1
[M+Na]+ 246.08491 154.0
[M-H]- 222.08841 152.0
[M+NH4]+ 241.12951 165.1
[M+K]+ 262.05885 153.3
[M+H-H2O]+ 206.09295 139.7
[M+HCOO]- 268.09389 175.3
[M+CH3COO]- 282.10954 197.7
[M+Na-2H]- 244.07036 152.5
[M]+ 223.09514 148.8
[M]- 223.09624 148.8
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.