CID 99433

73953-78-3

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CCN(CC)C(=O)NC1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C13H19N3O3/c1-4-16(5-2)12(17)15-10-7-6-8-11(9-10)19-13(18)14-3/h6-9H,4-5H2,1-3H3,(H,14,18)(H,15,17)
InChIKey
QSWSYADDIWXVHE-UHFFFAOYSA-N
Compound name
[3-(diethylcarbamoylamino)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.14264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 162.6
[M+Na]+ 288.13186 166.8
[M-H]- 264.13536 167.3
[M+NH4]+ 283.17646 178.8
[M+K]+ 304.10580 166.9
[M+H-H2O]+ 248.13990 154.6
[M+HCOO]- 310.14084 188.4
[M+CH3COO]- 324.15649 206.5
[M+Na-2H]- 286.11731 165.6
[M]+ 265.14209 164.5
[M]- 265.14319 164.5
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