CID 44947

Tl-1115

Structural Information

Molecular Formula
C15H21N3O6
SMILES
CN(C)C(=O)OC1=C(C(=CC=C1)OC(=O)N(C)C)OC(=O)N(C)C
InChI
InChI=1S/C15H21N3O6/c1-16(2)13(19)22-10-8-7-9-11(23-14(20)17(3)4)12(10)24-15(21)18(5)6/h7-9H,1-6H3
InChIKey
KMCUTTAAXHDITF-UHFFFAOYSA-N
Compound name
[2,3-bis(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14304 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15032 176.2
[M+Na]+ 362.13226 182.6
[M+NH4]+ 357.17686 179.7
[M+K]+ 378.10620 181.8
[M-H]- 338.13576 176.5
[M+Na-2H]- 360.11771 178.6
[M]+ 339.14249 176.5
[M]- 339.14359 176.5
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

No patent data available for this compound.