CID 99432

73953-77-2

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CCN(CC)C(=O)NC1=CC(=CC=C1)OC(=O)N(C)C
InChI
InChI=1S/C14H21N3O3/c1-5-17(6-2)13(18)15-11-8-7-9-12(10-11)20-14(19)16(3)4/h7-10H,5-6H2,1-4H3,(H,15,18)
InChIKey
PCKYSMLEOVJUKB-UHFFFAOYSA-N
Compound name
[3-(diethylcarbamoylamino)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 167.4
[M+Na]+ 302.14752 171.4
[M-H]- 278.15102 173.5
[M+NH4]+ 297.19212 183.7
[M+K]+ 318.12146 172.7
[M+H-H2O]+ 262.15556 159.2
[M+HCOO]- 324.15650 193.5
[M+CH3COO]- 338.17215 212.9
[M+Na-2H]- 300.13297 169.2
[M]+ 279.15775 171.0
[M]- 279.15885 171.0
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.