CID 3050493

Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(2-propenylthio)-

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CC1=COC2=NC(=NC(=C12)N)SCC=C
InChI
InChI=1S/C10H11N3OS/c1-3-4-15-10-12-8(11)7-6(2)5-14-9(7)13-10/h3,5H,1,4H2,2H3,(H2,11,12,13)
InChIKey
CNZPBJWFPMOQRM-UHFFFAOYSA-N
Compound name
5-methyl-2-prop-2-enylsulfanylfuro[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 146.1
[M+Na]+ 244.05151 158.5
[M-H]- 220.05501 149.6
[M+NH4]+ 239.09611 164.5
[M+K]+ 260.02545 154.7
[M+H-H2O]+ 204.05955 139.7
[M+HCOO]- 266.06049 164.7
[M+CH3COO]- 280.07614 159.8
[M+Na-2H]- 242.03696 150.0
[M]+ 221.06174 151.5
[M]- 221.06284 151.5
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

patents stripe