CID 3042897

4-((1-methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol

Structural Information

Molecular Formula
C21H29NOS
SMILES
CC(C)SC1=CC=C(C=C1)C(C(C)NC(C)CC2=CC=CC=C2)O
InChI
InChI=1S/C21H29NOS/c1-15(2)24-20-12-10-19(11-13-20)21(23)17(4)22-16(3)14-18-8-6-5-7-9-18/h5-13,15-17,21-23H,14H2,1-4H3
InChIKey
BPFVUFSYVZMJLU-UHFFFAOYSA-N
Compound name
2-(1-phenylpropan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.197 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20428 183.9
[M+Na]+ 366.18622 194.4
[M+NH4]+ 361.23082 191.7
[M+K]+ 382.16016 185.8
[M-H]- 342.18972 188.3
[M+Na-2H]- 364.17167 190.4
[M]+ 343.19645 187.1
[M]- 343.19755 187.1
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.