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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.079776	157.2
[M+Na]+	289.061718	168.3
[M-H]-	265.065224	158.0
[M+NH4]+	284.106323	174.0
[M+K]+	305.035658	163.6
[M+H-H2O]+	249.069760	151.7
[M+HCOO]-	311.070701	171.0
[M+CH3COO]-	325.086351	192.7
[M+Na-2H]-	287.047166	156.7
[M]+	266.07195142	162.2
[M]-	266.07304858	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe