CID 37936

Dtxsid00959125

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]+ 391.295516 200.6
[M+Na]+ 413.277458 200.2
[M-H]- 389.280964 206.1
[M+NH4]+ 408.322063 211.6
[M+K]+ 429.251398 198.0
[M+H-H2O]+ 373.285500 190.6
[M+HCOO]- 435.286441 219.9
[M+CH3COO]- 449.302091 230.4
[M+Na-2H]- 411.262906 198.4
[M]+ 390.28769142 201.9
[M]- 390.28878858 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.