CID 135413405

2,6-diaminoquinazolin-4-ol

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC2=C(C=C1N)C(=O)NC(=N2)N
InChI
InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13)
InChIKey
YCRCNZBZUQLULA-UHFFFAOYSA-N
Compound name
2,6-diamino-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

176.06981 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 134.6
[M+Na]+ 199.05903 145.1
[M-H]- 175.06253 135.4
[M+NH4]+ 194.10363 152.0
[M+K]+ 215.03297 140.4
[M+H-H2O]+ 159.06707 127.7
[M+HCOO]- 221.06801 156.6
[M+CH3COO]- 235.08366 147.4
[M+Na-2H]- 197.04448 142.9
[M]+ 176.06926 130.8
[M]- 176.07036 130.8
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