CID 64057

19062-39-6

Structural Information

Molecular Formula
C8H9N5O
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)NN)N
InChI
InChI=1S/C8H9N5O/c9-12-8-11-6-4-2-1-3-5(6)7(14)13(8)10/h1-4H,9-10H2,(H,11,12)
InChIKey
XVRQEQRJAXBHPD-UHFFFAOYSA-N
Compound name
3-amino-2-hydrazinylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

191.0807 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 137.1
[M+Na]+ 214.06992 147.1
[M-H]- 190.07342 139.1
[M+NH4]+ 209.11452 154.2
[M+K]+ 230.04386 143.3
[M+H-H2O]+ 174.07796 129.4
[M+HCOO]- 236.07890 161.5
[M+CH3COO]- 250.09455 189.9
[M+Na-2H]- 212.05537 146.3
[M]+ 191.08015 134.4
[M]- 191.08125 134.4
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