CID 4388283

132104-26-8

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CC(CNC(=O)NC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H19N3O3/c1-13(23-17(22)20-15-10-6-3-7-11-15)12-18-16(21)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,20,22)(H2,18,19,21)
InChIKey
MKMUONFFDOVTRV-UHFFFAOYSA-N
Compound name
1-(phenylcarbamoylamino)propan-2-yl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 173.1
[M+Na]+ 336.13186 175.3
[M-H]- 312.13536 178.9
[M+NH4]+ 331.17646 185.7
[M+K]+ 352.10580 173.1
[M+H-H2O]+ 296.13990 163.8
[M+HCOO]- 358.14084 197.5
[M+CH3COO]- 372.15649 210.8
[M+Na-2H]- 334.11731 177.2
[M]+ 313.14209 171.7
[M]- 313.14319 171.7
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