CID 28276

O-methylcarbanilic acid 2-(diethylamino)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCN(CC)C1CCCCC1OC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C18H28N2O2/c1-4-20(5-2)16-12-8-9-13-17(16)22-18(21)19-15-11-7-6-10-14(15)3/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3,(H,19,21)
InChIKey
NOUXSKREGMIIAL-UHFFFAOYSA-N
Compound name
[2-(diethylamino)cyclohexyl] N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 175.6
[M+Na]+ 327.20432 177.6
[M-H]- 303.20782 182.1
[M+NH4]+ 322.24892 190.2
[M+K]+ 343.17826 175.8
[M+H-H2O]+ 287.21236 166.8
[M+HCOO]- 349.21330 196.4
[M+CH3COO]- 363.22895 213.5
[M+Na-2H]- 325.18977 175.9
[M]+ 304.21455 173.7
[M]- 304.21565 173.7
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.