CID 16810

Diphenylcarbamic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN(C)CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-18(2)13-14-21-17(20)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey
CSTCMTNYRCPDSF-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N,N-diphenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.2
[M+Na]+ 307.14169 172.0
[M-H]- 283.14519 176.8
[M+NH4]+ 302.18629 183.9
[M+K]+ 323.11563 171.1
[M+H-H2O]+ 267.14973 158.9
[M+HCOO]- 329.15067 194.2
[M+CH3COO]- 343.16632 210.4
[M+Na-2H]- 305.12714 172.6
[M]+ 284.15192 170.7
[M]- 284.15302 170.7
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.