CID 5717262

652-518-7

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 161.7
[M+Na]+ 321.07806 171.7
[M-H]- 297.08156 170.4
[M+NH4]+ 316.12266 179.6
[M+K]+ 337.05200 168.0
[M+H-H2O]+ 281.08610 154.5
[M+HCOO]- 343.08704 181.7
[M+CH3COO]- 357.10269 174.5
[M+Na-2H]- 319.06351 167.0
[M]+ 298.08829 165.6
[M]- 298.08939 165.6
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