CID 31888

(m-methoxyphenyl)phenylcarbamic acid 2-(dimethylamino)ethyl ester

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CN(C)CCOC(=O)N(C1=CC=CC=C1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C18H22N2O3/c1-19(2)12-13-23-18(21)20(15-8-5-4-6-9-15)16-10-7-11-17(14-16)22-3/h4-11,14H,12-13H2,1-3H3
InChIKey
YBVHLIGNJHVODH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3-methoxyphenyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.170336 175.7
[M+Na]+ 337.152278 179.8
[M-H]- 313.155784 184.5
[M+NH4]+ 332.196883 190.3
[M+K]+ 353.126218 179.5
[M+H-H2O]+ 297.160320 166.1
[M+HCOO]- 359.161261 201.5
[M+CH3COO]- 373.176911 216.6
[M+Na-2H]- 335.137726 178.9
[M]+ 314.16251142 180.3
[M]- 314.16360858 180.3
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.