CID 54964

Tiprinast

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
CC1=C(SC2=C1C(=O)NC(=N2)C(=O)O)CC(C)C
InChI
InChI=1S/C12H14N2O3S/c1-5(2)4-7-6(3)8-10(15)13-9(12(16)17)14-11(8)18-7/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKey
WIZAMTSKPRSWIL-UHFFFAOYSA-N
Compound name
5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

266.0725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 157.2
[M+Na]+ 289.06172 168.3
[M-H]- 265.06522 158.0
[M+NH4]+ 284.10632 174.0
[M+K]+ 305.03566 163.6
[M+H-H2O]+ 249.06976 151.7
[M+HCOO]- 311.07070 171.0
[M+CH3COO]- 325.08635 192.7
[M+Na-2H]- 287.04717 156.7
[M]+ 266.07195 162.2
[M]- 266.07305 162.2
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.