CID 201493

Urea, (phenoxyacetyl)-

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C(C=C1)OCC(=O)NC(=O)N
InChI
InChI=1S/C9H10N2O3/c10-9(13)11-8(12)6-14-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
InChIKey
ZXOBBKWYTBQQKG-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.3
[M+Na]+ 217.05836 145.9
[M-H]- 193.06186 143.3
[M+NH4]+ 212.10296 158.4
[M+K]+ 233.03230 145.0
[M+H-H2O]+ 177.06640 133.5
[M+HCOO]- 239.06734 165.3
[M+CH3COO]- 253.08299 185.3
[M+Na-2H]- 215.04381 145.5
[M]+ 194.06859 139.0
[M]- 194.06969 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe