CID 4737006

871673-05-1

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂S

SMILES

CC1=C(SC2=NC(=NC(=C12)NCC(=O)O)C)C

InChI

InChI=1S/C11H13N3O2S/c1-5-6(2)17-11-9(5)10(12-4-8(15)16)13-7(3)14-11/h4H2,1-3H3,(H,15,16)(H,12,13,14)

InChIKey

QKYUXBPGZCUXOB-UHFFFAOYSA-N

Compound name

2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.07285 Da
Monoisotopic Mass: 2.6
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]+	252.080126	153.6
[M+Na]+	274.062068	165.0
[M-H]-	250.065574	155.8
[M+NH4]+	269.106673	171.6
[M+K]+	290.036008	160.7
[M+H-H2O]+	234.070110	147.5
[M+HCOO]-	296.071051	170.9
[M+CH3COO]-	310.086701	194.8
[M+Na-2H]-	272.047516	155.6
[M]+	251.07230142	159.3
[M]-	251.07339858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.