CID 209615

1-(isopropylamino)-3-(1-naphthylthio)-2-propanol hydrochloride

Structural Information

Molecular Formula
C16H21NOS
SMILES
CC(C)NCC(CSC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C16H21NOS/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKey
CMCCJYGFNHQHCP-UHFFFAOYSA-N
Compound name
1-naphthalen-1-ylsulfanyl-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14168 162.8
[M+Na]+ 298.12362 174.1
[M+NH4]+ 293.16822 171.8
[M+K]+ 314.09756 164.9
[M-H]- 274.12712 166.2
[M+Na-2H]- 296.10907 168.5
[M]+ 275.13385 165.8
[M]- 275.13495 165.8
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

No patent data available for this compound.