CID 723643

1h-perimidine-2-thiol

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1=CC2=C3C(=C1)NC(=S)NC3=CC=C2
InChI
InChI=1S/C11H8N2S/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
InChIKey
ZASDGLJUXIVFDL-UHFFFAOYSA-N
Compound name
1,3-dihydroperimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

200.04082 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 138.8
[M+Na]+ 223.03004 148.0
[M-H]- 199.03354 138.1
[M+NH4]+ 218.07464 157.1
[M+K]+ 239.00398 141.2
[M+H-H2O]+ 183.03808 132.7
[M+HCOO]- 245.03902 149.3
[M+CH3COO]- 259.05467 150.1
[M+Na-2H]- 221.01549 145.9
[M]+ 200.04027 136.1
[M]- 200.04137 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe