CID 3478280

Ethyl 2-(3-(3-chlorophenyl)ureido)acetate

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
CCOC(=O)CNC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H13ClN2O3/c1-2-17-10(15)7-13-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H2,13,14,16)
InChIKey
YLWQSWHHUIYSOE-UHFFFAOYSA-N
Compound name
ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.068736 155.3
[M+Na]+ 279.050678 162.0
[M-H]- 255.054184 158.9
[M+NH4]+ 274.095283 172.6
[M+K]+ 295.024618 158.9
[M+H-H2O]+ 239.058720 149.4
[M+HCOO]- 301.059661 175.9
[M+CH3COO]- 315.075311 196.3
[M+Na-2H]- 277.036126 159.4
[M]+ 256.06091142 158.4
[M]- 256.06200858 158.4
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.