CID 3041301

Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((2-nitrophenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
C1CN(CC2=C1SC=C2)CC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O2S/c17-16(18)13-4-2-1-3-11(13)9-15-7-5-14-12(10-15)6-8-19-14/h1-4,6,8H,5,7,9-10H2
InChIKey
HBGIHKKFNYJPKV-UHFFFAOYSA-N
Compound name
5-[(2-nitrophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.0776 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08488 159.7
[M+Na]+ 297.06682 165.9
[M-H]- 273.07032 165.8
[M+NH4]+ 292.11142 176.8
[M+K]+ 313.04076 157.4
[M+H-H2O]+ 257.07486 156.8
[M+HCOO]- 319.07580 176.6
[M+CH3COO]- 333.09145 190.4
[M+Na-2H]- 295.05227 163.6
[M]+ 274.07705 157.5
[M]- 274.07815 157.5
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

patents stripe