CID 99416

4849-30-3

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C
InChI
InChI=1S/C13H19N3O3/c1-9(2)14-13(18)19-11-7-5-6-10(8-11)15-12(17)16(3)4/h5-9H,1-4H3,(H,14,18)(H,15,17)
InChIKey
VNCXFXQEWWHCTH-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoylamino)phenyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 163.0
[M+Na]+ 288.13186 167.1
[M-H]- 264.13536 167.9
[M+NH4]+ 283.17646 179.2
[M+K]+ 304.10580 167.7
[M+H-H2O]+ 248.13990 155.2
[M+HCOO]- 310.14084 187.9
[M+CH3COO]- 324.15649 207.5
[M+Na-2H]- 286.11731 164.8
[M]+ 265.14209 164.4
[M]- 265.14319 164.4
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

patents stripe