CID 16810

Carbamic acid, diphenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride

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]+ 285.159746 168.2
[M+Na]+ 307.141688 172.0
[M-H]- 283.145194 176.8
[M+NH4]+ 302.186293 183.9
[M+K]+ 323.115628 171.1
[M+H-H2O]+ 267.149730 158.9
[M+HCOO]- 329.150671 194.2
[M+CH3COO]- 343.166321 210.4
[M+Na-2H]- 305.127136 172.6
[M]+ 284.15192142 170.7
[M]- 284.15301858 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.