CID 135449613

59342-31-3

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)NN
InChI
InChI=1S/C8H8N4O/c9-12-8-10-6-4-2-1-3-5(6)7(13)11-8/h1-4H,9H2,(H2,10,11,12,13)
InChIKey
UCFYYWZQWKEOOI-UHFFFAOYSA-N
Compound name
2-hydrazinyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

176.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 133.1
[M+Na]+ 199.05903 142.6
[M-H]- 175.06253 133.9
[M+NH4]+ 194.10363 150.5
[M+K]+ 215.03297 138.3
[M+H-H2O]+ 159.06707 125.9
[M+HCOO]- 221.06801 155.7
[M+CH3COO]- 235.08366 145.9
[M+Na-2H]- 197.04448 143.3
[M]+ 176.06926 129.9
[M]- 176.07036 129.9
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