CID 9579203

2-[(z)-(4-chlorodithiazol-5-ylidene)amino]-6-methyl-5,7-dihydro-4h-thieno[2,3-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H9ClN4S3
SMILES
CN1CCC2=C(C1)SC(=C2C#N)/N=C\3/C(=NSS3)Cl
InChI
InChI=1S/C11H9ClN4S3/c1-16-3-2-6-7(4-13)10(17-8(6)5-16)14-11-9(12)15-19-18-11/h2-3,5H2,1H3/b14-11-
InChIKey
WLXPTNHOHGVCKU-KAMYIIQDSA-N
Compound name
2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.96777 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.97505 181.5
[M+Na]+ 350.95699 197.5
[M-H]- 326.96049 188.3
[M+NH4]+ 346.00159 198.9
[M+K]+ 366.93093 190.1
[M+H-H2O]+ 310.96503 170.8
[M+HCOO]- 372.96597 184.0
[M+CH3COO]- 386.98162 191.8
[M+Na-2H]- 348.94244 179.3
[M]+ 327.96722 181.6
[M]- 327.96832 181.6
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.