CID 6604413

Suloctidil

Structural Information

Molecular Formula
C20H35NOS
SMILES
CCCCCCCCN[C@@H](C)[C@@H](C1=CC=C(C=C1)SC(C)C)O
InChI
InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m0/s1
InChIKey
BFCDFTHTSVTWOG-PXNSSMCTSA-N
Compound name
(1R,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

134
References

5945
Patents

337.24393 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.25121 187.1
[M+Na]+ 360.23315 188.4
[M-H]- 336.23665 187.5
[M+NH4]+ 355.27775 200.2
[M+K]+ 376.20709 183.9
[M+H-H2O]+ 320.24119 179.4
[M+HCOO]- 382.24213 199.2
[M+CH3COO]- 396.25778 215.9
[M+Na-2H]- 358.21860 182.3
[M]+ 337.24338 190.4
[M]- 337.24448 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe