CID 31888

Brn 3414017

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]+ 315.17034 175.7
[M+Na]+ 337.15228 179.8
[M-H]- 313.15578 184.5
[M+NH4]+ 332.19688 190.3
[M+K]+ 353.12622 179.5
[M+H-H2O]+ 297.16032 166.1
[M+HCOO]- 359.16126 201.5
[M+CH3COO]- 373.17691 216.6
[M+Na-2H]- 335.13773 178.9
[M]+ 314.16251 180.3
[M]- 314.16361 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.