CID 16775794

4-{4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}aniline

Structural Information

Molecular Formula
C13H14N2S
SMILES
C1CN(CC2=C1SC=C2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H14N2S/c14-11-1-3-12(4-2-11)15-7-5-13-10(9-15)6-8-16-13/h1-4,6,8H,5,7,9,14H2
InChIKey
ZRAXQPNEXXVMQA-UHFFFAOYSA-N
Compound name
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08777 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09505 148.5
[M+Na]+ 253.07699 161.3
[M+NH4]+ 248.12159 159.1
[M+K]+ 269.05093 153.2
[M-H]- 229.08049 154.0
[M+Na-2H]- 251.06244 156.0
[M]+ 230.08722 152.4
[M]- 230.08832 152.4
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.