CID 37938

38198-33-3

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCC3
InChI
InChI=1S/C20H30N2O3/c1-2-14-24-17-9-7-8-16(15-17)21-20(23)25-19-11-4-3-10-18(19)22-12-5-6-13-22/h7-9,15,18-19H,2-6,10-14H2,1H3,(H,21,23)/t18-,19-/m0/s1
InChIKey
XBMCYMUKGDLJMW-OALUTQOASA-N
Compound name
[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 185.0
[M+Na]+ 369.214868 185.6
[M-H]- 345.218374 191.3
[M+NH4]+ 364.259473 197.3
[M+K]+ 385.188808 182.4
[M+H-H2O]+ 329.222910 175.0
[M+HCOO]- 391.223851 201.7
[M+CH3COO]- 405.239501 212.2
[M+Na-2H]- 367.200316 182.7
[M]+ 346.22510142 180.4
[M]- 346.22619858 180.4
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.