CID 37936

M-hexyloxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2N(CC)CC
InChI
InChI=1S/C23H38N2O3/c1-4-7-8-11-17-27-20-14-12-13-19(18-20)24-23(26)28-22-16-10-9-15-21(22)25(5-2)6-3/h12-14,18,21-22H,4-11,15-17H2,1-3H3,(H,24,26)/t21-,22-/m0/s1
InChIKey
RUGDSECRMKIZNN-VXKWHMMOSA-N
Compound name
[(1S,2S)-2-(diethylamino)cyclohexyl] N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 200.9
[M+Na]+ 413.27746 208.7
[M+NH4]+ 408.32206 206.8
[M+K]+ 429.25140 201.5
[M-H]- 389.28096 204.9
[M+Na-2H]- 411.26291 204.8
[M]+ 390.28769 202.7
[M]- 390.28879 202.7
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.