CID 28274

2-chloro-6-methylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H25ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2N3CCCC3
InChI
InChI=1S/C18H25ClN2O2/c1-13-7-6-8-14(19)17(13)20-18(22)23-16-10-3-2-9-15(16)21-11-4-5-12-21/h6-8,15-16H,2-5,9-12H2,1H3,(H,20,22)
InChIKey
DNVARBASPLRRES-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.16046 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16774 182.1
[M+Na]+ 359.14968 185.6
[M-H]- 335.15318 189.0
[M+NH4]+ 354.19428 196.2
[M+K]+ 375.12362 180.4
[M+H-H2O]+ 319.15772 173.3
[M+HCOO]- 381.15866 194.7
[M+CH3COO]- 395.17431 209.0
[M+Na-2H]- 357.13513 179.3
[M]+ 336.15991 178.1
[M]- 336.16101 178.1
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.