CID 193996

Cliropamine

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC1=C(C=C(C=C1)[C@H]([C@H](C)NCCCC2=CC=CC=C2)O)O
InChI
InChI=1S/C19H25NO2/c1-14-10-11-17(13-18(14)21)19(22)15(2)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19-22H,6,9,12H2,1-2H3/t15-,19-/m0/s1
InChIKey
AUTKZDGLQYYXLZ-KXBFYZLASA-N
Compound name
5-[(1R,2S)-1-hydroxy-2-(3-phenylpropylamino)propyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

299.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 174.0
[M+Na]+ 322.177758 177.8
[M-H]- 298.181264 177.4
[M+NH4]+ 317.222363 187.2
[M+K]+ 338.151698 173.2
[M+H-H2O]+ 282.185800 166.1
[M+HCOO]- 344.186741 193.1
[M+CH3COO]- 358.202391 205.1
[M+Na-2H]- 320.163206 174.9
[M]+ 299.18799142 172.8
[M]- 299.18908858 172.8
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

patents stripe