CID 1808904

2-(3-phenylureido)ethyl n-phenylcarbamate

Structural Information

Molecular Formula
C16H17N3O3
SMILES
C1=CC=C(C=C1)NC(=O)NCCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H17N3O3/c20-15(18-13-7-3-1-4-8-13)17-11-12-22-16(21)19-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21)(H2,17,18,20)
InChIKey
SYKKXOQGUGBKQM-UHFFFAOYSA-N
Compound name
2-(phenylcarbamoylamino)ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.134256 167.7
[M+Na]+ 322.116198 170.7
[M-H]- 298.119704 173.6
[M+NH4]+ 317.160803 181.0
[M+K]+ 338.090138 168.0
[M+H-H2O]+ 282.124240 158.4
[M+HCOO]- 344.125181 193.5
[M+CH3COO]- 358.140831 206.9
[M+Na-2H]- 320.101646 173.6
[M]+ 299.12643142 166.5
[M]- 299.12752858 166.5
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

patents stripe