CID 29984

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

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
C1CCC(C(C1)N2CCCC2)OC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H23ClN2O2/c18-13-7-1-2-8-14(13)19-17(21)22-16-10-4-3-9-15(16)20-11-5-6-12-20/h1-2,7-8,15-16H,3-6,9-12H2,(H,19,21)
InChIKey
VQDUGSDEJGDNOP-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1448 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 176.2
[M+Na]+ 345.13402 186.7
[M+NH4]+ 340.17862 184.4
[M+K]+ 361.10796 181.0
[M-H]- 321.13752 181.2
[M+Na-2H]- 343.11947 182.4
[M]+ 322.14425 179.1
[M]- 322.14535 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.