CID 3075216

172800-04-3

Structural Information

Molecular Formula
C24H40N2O3
SMILES
CCCCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@H]2CN(C)C
InChI
InChI=1S/C24H40N2O3/c1-4-5-6-7-8-13-18-28-23-17-12-10-15-21(23)25-24(27)29-22-16-11-9-14-20(22)19-26(2)3/h10,12,15,17,20,22H,4-9,11,13-14,16,18-19H2,1-3H3,(H,25,27)/t20-,22+/m0/s1
InChIKey
QKFGRFRBNISBCA-RBBKRZOGSA-N
Compound name
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.3039 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.31118 205.0
[M+Na]+ 427.29312 204.2
[M-H]- 403.29662 210.2
[M+NH4]+ 422.33772 215.4
[M+K]+ 443.26706 201.8
[M+H-H2O]+ 387.30116 194.8
[M+HCOO]- 449.30210 223.9
[M+CH3COO]- 463.31775 233.4
[M+Na-2H]- 425.27857 202.3
[M]+ 404.30335 206.6
[M]- 404.30445 206.6
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.