CID 42281672

6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CC(=O)N1CCC2=C(C1)SC(=C2C#N)N
InChI
InChI=1S/C10H11N3OS/c1-6(14)13-3-2-7-8(4-11)10(12)15-9(7)5-13/h2-3,5,12H2,1H3
InChIKey
ONWFDBVICXATKK-UHFFFAOYSA-N
Compound name
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

221.06229 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 152.9
[M+Na]+ 244.05151 163.6
[M-H]- 220.05501 155.7
[M+NH4]+ 239.09611 171.3
[M+K]+ 260.02545 159.2
[M+H-H2O]+ 204.05955 140.7
[M+HCOO]- 266.06049 165.0
[M+CH3COO]- 280.07614 200.5
[M+Na-2H]- 242.03696 152.6
[M]+ 221.06174 147.3
[M]- 221.06284 147.3
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

patents stripe