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 200.6
[M+Na]+ 413.27746 200.2
[M-H]- 389.28096 206.1
[M+NH4]+ 408.32206 211.6
[M+K]+ 429.25140 198.0
[M+H-H2O]+ 373.28550 190.6
[M+HCOO]- 435.28644 219.9
[M+CH3COO]- 449.30209 230.4
[M+Na-2H]- 411.26291 198.4
[M]+ 390.28769 201.9
[M]- 390.28879 201.9
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.