CID 56844

Brn 2769894

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCOC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H28N2O2/c1-4-25-21(24)23(20-13-9-6-10-14-20)17-18(2)22(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3
InChIKey
AWMKGDPUSKTGJP-UHFFFAOYSA-N
Compound name
ethyl N-[2-[methyl(2-phenylethyl)amino]propyl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 187.0
[M+Na]+ 363.204318 188.7
[M-H]- 339.207824 194.9
[M+NH4]+ 358.248923 200.3
[M+K]+ 379.178258 187.5
[M+H-H2O]+ 323.212360 177.0
[M+HCOO]- 385.213301 210.6
[M+CH3COO]- 399.228951 223.1
[M+Na-2H]- 361.189766 188.0
[M]+ 340.21455142 190.3
[M]- 340.21564858 190.3
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.