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]+ 210.069566 140.8
[M+Na]+ 232.051508 152.1
[M-H]- 208.055014 142.5
[M+NH4]+ 227.096113 160.2
[M+K]+ 248.025448 147.2
[M+H-H2O]+ 192.059550 134.5
[M+HCOO]- 254.060491 159.8
[M+CH3COO]- 268.076141 154.1
[M+Na-2H]- 230.036956 146.1
[M]+ 209.06174142 144.2
[M]- 209.06283858 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.