CID 4962262

3-(2-chloroacetyl)-1-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
COC1=CC=C(C=C1)NC(=O)NC(=O)CCl
InChI
InChI=1S/C10H11ClN2O3/c1-16-8-4-2-7(3-5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKey
ODWKXORLQVYKOE-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.053096 150.7
[M+Na]+ 265.035038 157.8
[M-H]- 241.038544 154.5
[M+NH4]+ 260.079643 168.5
[M+K]+ 281.008978 155.0
[M+H-H2O]+ 225.043080 145.0
[M+HCOO]- 287.044021 171.6
[M+CH3COO]- 301.059671 193.3
[M+Na-2H]- 263.020486 155.3
[M]+ 242.04527142 153.4
[M]- 242.04636858 153.4
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.