CID 16772307

[2-(4-amino-3-methylphenoxy)acetyl]urea

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC1=C(C=CC(=C1)OCC(=O)NC(=O)N)N
InChI
InChI=1S/C10H13N3O3/c1-6-4-7(2-3-8(6)11)16-5-9(14)13-10(12)15/h2-4H,5,11H2,1H3,(H3,12,13,14,15)
InChIKey
JNTAKCASKJEXEG-UHFFFAOYSA-N
Compound name
2-(4-amino-3-methylphenoxy)-N-carbamoylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 148.7
[M+Na]+ 246.08491 154.9
[M-H]- 222.08841 151.8
[M+NH4]+ 241.12951 165.6
[M+K]+ 262.05885 153.5
[M+H-H2O]+ 206.09295 141.6
[M+HCOO]- 268.09389 173.7
[M+CH3COO]- 282.10954 195.7
[M+Na-2H]- 244.07036 151.1
[M]+ 223.09514 146.8
[M]- 223.09624 146.8
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.