CID 191750

53885-65-7

Structural Information

Molecular Formula
C15H12NOS
SMILES
C1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)SC=C3
InChI
InChI=1S/C15H12NOS/c17-14(12-4-2-1-3-5-12)11-16-8-6-15-13(10-16)7-9-18-15/h1-10H,11H2/q+1
InChIKey
MSSYMCMBXIAHEQ-UHFFFAOYSA-N
Compound name
1-phenyl-2-thieno[3,2-c]pyridin-5-ium-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

254.06396 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07124 157.0
[M+Na]+ 277.05318 166.8
[M-H]- 253.05668 164.5
[M+NH4]+ 272.09778 175.7
[M+K]+ 293.02712 156.3
[M+H-H2O]+ 237.06122 152.5
[M+HCOO]- 299.06216 176.0
[M+CH3COO]- 313.07781 185.3
[M+Na-2H]- 275.03863 163.1
[M]+ 254.06341 159.5
[M]- 254.06451 159.5
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.