CID 75454454

5-methyl-2-{5-methyl-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl}-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine

Structural Information

Molecular Formula
C15H18N4OS2
SMILES
CN1CCC2=C(C1)SC(=N2)C(=O)C3=NC4=C(S3)CN(CC4)C
InChI
InChI=1S/C15H18N4OS2/c1-18-5-3-9-11(7-18)21-14(16-9)13(20)15-17-10-4-6-19(2)8-12(10)22-15/h3-8H2,1-2H3
InChIKey
SIEIMEFYCZOMNH-UHFFFAOYSA-N
Compound name
bis(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0922 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09948 174.0
[M+Na]+ 357.08142 185.0
[M-H]- 333.08492 177.9
[M+NH4]+ 352.12602 189.8
[M+K]+ 373.05536 179.8
[M+H-H2O]+ 317.08946 168.2
[M+HCOO]- 379.09040 179.9
[M+CH3COO]- 393.10605 184.3
[M+Na-2H]- 355.06687 170.7
[M]+ 334.09165 176.9
[M]- 334.09275 176.9
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

No patent data available for this compound.