CID 135967980

1011416-22-0

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CCNCC1=NC2=C(C(=O)N1)SC=C2
InChI
InChI=1S/C9H11N3OS/c1-2-10-5-7-11-6-3-4-14-8(6)9(13)12-7/h3-4,10H,2,5H2,1H3,(H,11,12,13)
InChIKey
GHZWIBAQIJKVNI-UHFFFAOYSA-N
Compound name
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06229 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 140.8
[M+Na]+ 232.05151 152.1
[M-H]- 208.05501 142.5
[M+NH4]+ 227.09611 160.2
[M+K]+ 248.02545 147.2
[M+H-H2O]+ 192.05955 134.5
[M+HCOO]- 254.06049 159.8
[M+CH3COO]- 268.07614 154.1
[M+Na-2H]- 230.03696 146.1
[M]+ 209.06174 144.2
[M]- 209.06284 144.2
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.