CID 380383

Nsc665898

Structural Information

Molecular Formula
C21H21NOS
SMILES
C1=CC=C(C=C1)C(CC(C2=CC=CC=C2S)N)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H21NOS/c22-19(18-13-7-8-14-20(18)24)15-21(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,23-24H,15,22H2
InChIKey
ZLBXUJKEJGQLHH-UHFFFAOYSA-N
Compound name
3-amino-1,1-diphenyl-3-(2-sulfanylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14168 178.9
[M+Na]+ 358.12362 183.9
[M-H]- 334.12712 186.2
[M+NH4]+ 353.16822 191.2
[M+K]+ 374.09756 177.1
[M+H-H2O]+ 318.13166 170.5
[M+HCOO]- 380.13260 193.8
[M+CH3COO]- 394.14825 188.2
[M+Na-2H]- 356.10907 181.4
[M]+ 335.13385 177.2
[M]- 335.13495 177.2
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.