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

7
Patents

274.0776 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.084876 159.7
[M+Na]+ 297.066818 165.9
[M-H]- 273.070324 165.8
[M+NH4]+ 292.111423 176.8
[M+K]+ 313.040758 157.4
[M+H-H2O]+ 257.074860 156.8
[M+HCOO]- 319.075801 176.6
[M+CH3COO]- 333.091451 190.4
[M+Na-2H]- 295.052266 163.6
[M]+ 274.07705142 157.5
[M]- 274.07814858 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