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 173.7
[M+Na]+ 325.18865 175.5
[M-H]- 301.19215 180.5
[M+NH4]+ 320.23325 188.0
[M+K]+ 341.16259 172.0
[M+H-H2O]+ 285.19669 164.3
[M+HCOO]- 347.19763 191.0
[M+CH3COO]- 361.21328 204.2
[M+Na-2H]- 323.17410 172.3
[M]+ 302.19888 167.1
[M]- 302.19998 167.1
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.