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 173.8
[M+Na]+ 336.13186 177.4
[M-H]- 312.13536 181.4
[M+NH4]+ 331.17646 187.5
[M+K]+ 352.10580 176.0
[M+H-H2O]+ 296.13990 164.4
[M+HCOO]- 358.14084 199.7
[M+CH3COO]- 372.15649 214.3
[M+Na-2H]- 334.11731 177.6
[M]+ 313.14209 174.6
[M]- 313.14319 174.6
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.