CID 53841

Brn 2749869

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CN(CCC1=CC=CC=C1)CCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O2/c1-20(13-12-16-8-4-2-5-9-16)14-15-22-18(21)19-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21)
InChIKey
YFJMJSOJMZDCLC-UHFFFAOYSA-N
Compound name
2-[methyl(2-phenylethyl)amino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.2
[M+Na]+ 321.15734 175.4
[M-H]- 297.16084 179.1
[M+NH4]+ 316.20194 186.6
[M+K]+ 337.13128 172.9
[M+H-H2O]+ 281.16538 162.8
[M+HCOO]- 343.16632 197.4
[M+CH3COO]- 357.18197 210.0
[M+Na-2H]- 319.14279 176.8
[M]+ 298.16757 173.7
[M]- 298.16867 173.7
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.