CID 5717262

303106-31-2

Structural Information

Molecular Formula
C15H14N4OS
SMILES
C1CCC2=C(C1)C3=C(N=CN=C3S2)N/N=C\C4=CC=CO4
InChI
InChI=1S/C15H14N4OS/c1-2-6-12-11(5-1)13-14(16-9-17-15(13)21-12)19-18-8-10-4-3-7-20-10/h3-4,7-9H,1-2,5-6H2,(H,16,17,19)/b18-8-
InChIKey
RZQBUENNABHIEU-LSCVHKIXSA-N
Compound name
N-[(Z)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.08884 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09612 163.8
[M+Na]+ 321.07806 176.4
[M+NH4]+ 316.12266 173.2
[M+K]+ 337.05200 170.5
[M-H]- 297.08156 170.3
[M+Na-2H]- 319.06351 170.5
[M]+ 298.08829 167.9
[M]- 298.08939 167.9
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