CID 3000699

3h-imidazo(4,5-h)quinazoline-6-thiol

Structural Information

Molecular Formula
C9H6N4S
SMILES
C1=CC2=C(C3=C1C(=S)N=CN3)N=CN2
InChI
InChI=1S/C9H6N4S/c14-9-5-1-2-6-8(12-3-10-6)7(5)11-4-13-9/h1-4H,(H,10,12)(H,11,13,14)
InChIKey
OQALTNOHDWMPFI-UHFFFAOYSA-N
Compound name
3,9-dihydroimidazo[4,5-h]quinazoline-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.03131 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03859 138.7
[M+Na]+ 225.02053 152.5
[M-H]- 201.02403 137.8
[M+NH4]+ 220.06513 156.4
[M+K]+ 240.99447 145.3
[M+H-H2O]+ 185.02857 132.3
[M+HCOO]- 247.02951 152.5
[M+CH3COO]- 261.04516 151.4
[M+Na-2H]- 223.00598 145.8
[M]+ 202.03076 139.7
[M]- 202.03186 139.7
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.