CID 3056934

73909-06-5

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]+ 310.12602 172.5
[M+Na]+ 332.10796 177.7
[M-H]- 308.11146 180.3
[M+NH4]+ 327.15256 187.7
[M+K]+ 348.08190 171.7
[M+H-H2O]+ 292.11600 165.3
[M+HCOO]- 354.11694 189.2
[M+CH3COO]- 368.13259 182.8
[M+Na-2H]- 330.09341 174.1
[M]+ 309.11819 171.0
[M]- 309.11929 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.