CID 3057108

M-(3,3-dimethylureido)phenyl benzylcarbamate

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CN(C)C(=O)NC1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H19N3O3/c1-20(2)16(21)19-14-9-6-10-15(11-14)23-17(22)18-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKey
QCIAAZVLAHKARA-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoylamino)phenyl] N-benzylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 174.8
[M+Na]+ 336.13186 184.7
[M+NH4]+ 331.17646 181.0
[M+K]+ 352.10580 179.2
[M-H]- 312.13536 179.4
[M+Na-2H]- 334.11731 182.3
[M]+ 313.14209 177.1
[M]- 313.14319 177.1
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.