CID 16078542

Schembl5911470

Structural Information

Molecular Formula
C14H15N3O2S3
SMILES
CC1=C(SC2=C1N=C(S2)C)COC(=O)C3=C(NC(=S)NC3)C
InChI
InChI=1S/C14H15N3O2S3/c1-6-10(22-13-11(6)17-8(3)21-13)5-19-12(18)9-4-15-14(20)16-7(9)2/h4-5H2,1-3H3,(H2,15,16,20)
InChIKey
ABKXRHGRGHFRAM-UHFFFAOYSA-N
Compound name
(2,6-dimethylthieno[3,2-d][1,3]thiazol-5-yl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

353.03265 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.03993 175.2
[M+Na]+ 376.02187 186.9
[M-H]- 352.02537 177.1
[M+NH4]+ 371.06647 189.6
[M+K]+ 391.99581 178.8
[M+H-H2O]+ 336.02991 171.7
[M+HCOO]- 398.03085 177.3
[M+CH3COO]- 412.04650 184.7
[M+Na-2H]- 374.00732 170.4
[M]+ 353.03210 178.1
[M]- 353.03320 178.1
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