CID 3075766

Thieno(2,3-d)pyrimidine-2,4(1h,3h)-dione, 3-butyl-1-((4-chlorophenyl)methyl)-5,6-dimethyl-

Structural Information

Molecular Formula
C19H21ClN2O2S
SMILES
CCCCN1C(=O)C2=C(N(C1=O)CC3=CC=C(C=C3)Cl)SC(=C2C)C
InChI
InChI=1S/C19H21ClN2O2S/c1-4-5-10-21-17(23)16-12(2)13(3)25-18(16)22(19(21)24)11-14-6-8-15(20)9-7-14/h6-9H,4-5,10-11H2,1-3H3
InChIKey
CCJZKHISDYTVJF-UHFFFAOYSA-N
Compound name
3-butyl-1-[(4-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.10123 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10851 189.7
[M+Na]+ 399.09045 207.0
[M+NH4]+ 394.13505 197.7
[M+K]+ 415.06439 197.1
[M-H]- 375.09395 193.6
[M+Na-2H]- 397.07590 195.8
[M]+ 376.10068 194.3
[M]- 376.10178 194.3
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.