CID 34737

2,4,6-trimethylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)OC2CCCCC2N3CCCC3)C
InChI
InChI=1S/C20H30N2O2/c1-14-12-15(2)19(16(3)13-14)21-20(23)24-18-9-5-4-8-17(18)22-10-6-7-11-22/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)
InChIKey
MTSXZLVUBAOQBP-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylcyclohexyl) N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23802 182.9
[M+Na]+ 353.21996 185.7
[M-H]- 329.22346 190.1
[M+NH4]+ 348.26456 196.7
[M+K]+ 369.19390 181.9
[M+H-H2O]+ 313.22800 173.8
[M+HCOO]- 375.22894 199.5
[M+CH3COO]- 389.24459 212.6
[M+Na-2H]- 351.20541 179.1
[M]+ 330.23019 177.8
[M]- 330.23129 177.8
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.