CID 28270

Carbanilic acid, 2,4,6-trimethyl-, 2-piperidinocyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)OC2CCCCC2N3CCCCC3)C
InChI
InChI=1S/C21H32N2O2/c1-15-13-16(2)20(17(3)14-15)22-21(24)25-19-10-6-5-9-18(19)23-11-7-4-8-12-23/h13-14,18-19H,4-12H2,1-3H3,(H,22,24)
InChIKey
KDWZGLXSBTXDIT-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylcyclohexyl) N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.253646 187.4
[M+Na]+ 367.235588 188.8
[M-H]- 343.239094 193.8
[M+NH4]+ 362.280193 198.5
[M+K]+ 383.209528 184.9
[M+H-H2O]+ 327.243630 177.2
[M+HCOO]- 389.244571 201.3
[M+CH3COO]- 403.260221 216.2
[M+Na-2H]- 365.221036 184.6
[M]+ 344.24582142 180.3
[M]- 344.24691858 180.3
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.