CID 3759782

(1,2-diphenyl-ethyl)-carbamic acid isopropyl ester

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC(C)OC(=O)NC(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO2/c1-14(2)21-18(20)19-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChIKey
MYTUOHIXQFKPEZ-UHFFFAOYSA-N
Compound name
propan-2-yl N-(1,2-diphenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 169.2
[M+Na]+ 306.14645 172.6
[M-H]- 282.14995 175.0
[M+NH4]+ 301.19105 183.9
[M+K]+ 322.12039 169.8
[M+H-H2O]+ 266.15449 160.8
[M+HCOO]- 328.15543 190.9
[M+CH3COO]- 342.17108 203.4
[M+Na-2H]- 304.13190 171.7
[M]+ 283.15668 169.0
[M]- 283.15778 169.0
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.