CID 29966

2,6-dimethylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2CCCCC2N3CCCC3
InChI
InChI=1S/C19H28N2O2/c1-14-8-7-9-15(2)18(14)20-19(22)23-17-11-4-3-10-16(17)21-12-5-6-13-21/h7-9,16-17H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKey
YYHVFVYVTUGBRD-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 179.6
[M+Na]+ 339.20432 189.1
[M+NH4]+ 334.24892 187.1
[M+K]+ 355.17826 184.1
[M-H]- 315.20782 184.5
[M+Na-2H]- 337.18977 184.9
[M]+ 316.21455 182.0
[M]- 316.21565 182.0
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.