CID 3056934

Gamma-amino-alpha,alpha-diphenyl-2-thiophenepropanol

Structural Information

Molecular Formula
C19H19NOS
SMILES
C1=CC=C(C=C1)C(CC(C2=CC=CS2)N)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H19NOS/c20-17(18-12-7-13-22-18)14-19(21,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,21H,14,20H2
InChIKey
IUQHPFYMCPMSLZ-UHFFFAOYSA-N
Compound name
3-amino-1,1-diphenyl-3-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11874 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.126016 172.5
[M+Na]+ 332.107958 177.7
[M-H]- 308.111464 180.3
[M+NH4]+ 327.152563 187.7
[M+K]+ 348.081898 171.7
[M+H-H2O]+ 292.116000 165.3
[M+HCOO]- 354.116941 189.2
[M+CH3COO]- 368.132591 182.8
[M+Na-2H]- 330.093406 174.1
[M]+ 309.11819142 171.0
[M]- 309.11928858 171.0
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.