CID 205169

1-propanol, 1,1-di(thien-3-yl)-3-morpholino-, hydrobromide

Structural Information

Molecular Formula
C15H19NO2S2
SMILES
C1COCCN1CCC(C2=CSC=C2)(C3=CSC=C3)O
InChI
InChI=1S/C15H19NO2S2/c17-15(13-1-9-19-11-13,14-2-10-20-12-14)3-4-16-5-7-18-8-6-16/h1-2,9-12,17H,3-8H2
InChIKey
XRRFSJJFEOGUNA-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.08572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09300 169.3
[M+Na]+ 332.07494 176.7
[M-H]- 308.07844 177.2
[M+NH4]+ 327.11954 185.3
[M+K]+ 348.04888 173.2
[M+H-H2O]+ 292.08298 164.2
[M+HCOO]- 354.08392 179.7
[M+CH3COO]- 368.09957 180.3
[M+Na-2H]- 330.06039 168.7
[M]+ 309.08517 170.7
[M]- 309.08627 170.7
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.