CID 11011847

81732-48-1

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CC(=O)C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C
InChI
InChI=1S/C14H18N2O5/c1-9(17)10-6-11(20-13(18)15(2)3)8-12(7-10)21-14(19)16(4)5/h6-8H,1-5H3
InChIKey
WTWHLMRXPNOZQX-UHFFFAOYSA-N
Compound name
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

294.12158 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 165.4
[M+Na]+ 317.11080 171.1
[M-H]- 293.11430 172.0
[M+NH4]+ 312.15540 181.5
[M+K]+ 333.08474 173.6
[M+H-H2O]+ 277.11884 157.9
[M+HCOO]- 339.11978 190.1
[M+CH3COO]- 353.13543 213.4
[M+Na-2H]- 315.09625 165.4
[M]+ 294.12103 171.8
[M]- 294.12213 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe