CID 29968

O-methylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC1=CC=CC=C1NC(=O)OC2CCCCC2N3CCCC3
InChI
InChI=1S/C18H26N2O2/c1-14-8-2-3-9-15(14)19-18(21)22-17-11-5-4-10-16(17)20-12-6-7-13-20/h2-3,8-9,16-17H,4-7,10-13H2,1H3,(H,19,21)
InChIKey
VLHHXENKYLLTHN-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 175.5
[M+Na]+ 325.18865 184.9
[M+NH4]+ 320.23325 183.2
[M+K]+ 341.16259 179.9
[M-H]- 301.19215 180.4
[M+Na-2H]- 323.17410 181.3
[M]+ 302.19888 177.9
[M]- 302.19998 177.9
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.