CID 135511438

4-oxo-3,4-dihydroquinazoline-2-carbohydrazide

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C(=O)NN
InChI
InChI=1S/C9H8N4O2/c10-13-9(15)7-11-6-4-2-1-3-5(6)8(14)12-7/h1-4H,10H2,(H,13,15)(H,11,12,14)
InChIKey
USFNPPAZHOLLBF-UHFFFAOYSA-N
Compound name
4-oxo-3H-quinazoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

204.06473 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.072006 140.3
[M+Na]+ 227.053948 149.3
[M-H]- 203.057454 141.1
[M+NH4]+ 222.098553 156.3
[M+K]+ 243.027888 145.2
[M+H-H2O]+ 187.061990 132.8
[M+HCOO]- 249.062931 162.0
[M+CH3COO]- 263.078581 186.3
[M+Na-2H]- 225.039396 148.8
[M]+ 204.06418142 137.4
[M]- 204.06527858 137.4
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