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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08013 153.6
[M+Na]+ 274.06207 165.0
[M-H]- 250.06557 155.8
[M+NH4]+ 269.10667 171.6
[M+K]+ 290.03601 160.7
[M+H-H2O]+ 234.07011 147.5
[M+HCOO]- 296.07105 170.9
[M+CH3COO]- 310.08670 194.8
[M+Na-2H]- 272.04752 155.6
[M]+ 251.07230 159.3
[M]- 251.07340 159.3
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.