CID 20115426

2-phenyl-2-{4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}ethan-1-amine

Structural Information

Molecular Formula
C15H18N2S
SMILES
C1CN(CC2=C1SC=C2)C(CN)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2S/c16-10-14(12-4-2-1-3-5-12)17-8-6-15-13(11-17)7-9-18-15/h1-5,7,9,14H,6,8,10-11,16H2
InChIKey
PVHXZRZDOGXTPE-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.11908 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12636 157.5
[M+Na]+ 281.10830 163.6
[M-H]- 257.11180 162.7
[M+NH4]+ 276.15290 175.7
[M+K]+ 297.08224 158.6
[M+H-H2O]+ 241.11634 150.2
[M+HCOO]- 303.11728 172.6
[M+CH3COO]- 317.13293 168.5
[M+Na-2H]- 279.09375 158.6
[M]+ 258.11853 155.0
[M]- 258.11963 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.