CID 10824830

(3-amino-1-benzothien-2-yl)(4-pyridinyl)methanone

Structural Information

Molecular Formula
C14H10N2OS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)C3=CC=NC=C3)N
InChI
InChI=1S/C14H10N2OS/c15-12-10-3-1-2-4-11(10)18-14(12)13(17)9-5-7-16-8-6-9/h1-8H,15H2
InChIKey
KHKBJJOKNPIWND-UHFFFAOYSA-N
Compound name
(3-amino-1-benzothiophen-2-yl)-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.05139 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05867 153.3
[M+Na]+ 277.04061 167.8
[M+NH4]+ 272.08521 162.9
[M+K]+ 293.01455 160.1
[M-H]- 253.04411 158.5
[M+Na-2H]- 275.02606 162.3
[M]+ 254.05084 157.4
[M]- 254.05194 157.4
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.