CID 483230

5,6-dihydrothieno[2,3-h]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C10H10N4S
SMILES
C1CC2=C(C=CS2)C3=C1C(=NC(=N3)N)N
InChI
InChI=1S/C10H10N4S/c11-9-6-1-2-7-5(3-4-15-7)8(6)13-10(12)14-9/h3-4H,1-2H2,(H4,11,12,13,14)
InChIKey
INODDVKEVHSCPW-UHFFFAOYSA-N
Compound name
5,6-dihydrothieno[2,3-h]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.06262 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06990 141.6
[M+Na]+ 241.05184 152.3
[M-H]- 217.05534 144.3
[M+NH4]+ 236.09644 161.6
[M+K]+ 257.02578 147.1
[M+H-H2O]+ 201.05988 135.3
[M+HCOO]- 263.06082 158.3
[M+CH3COO]- 277.07647 154.3
[M+Na-2H]- 239.03729 146.5
[M]+ 218.06207 140.6
[M]- 218.06317 140.6
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

No patent data available for this compound.