CID 3049472

Brn 0645665

Structural Information

Molecular Formula
C9H6N4O
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)C#N)N
InChI
InChI=1S/C9H6N4O/c10-5-8-12-7-4-2-1-3-6(7)9(14)13(8)11/h1-4H,11H2
InChIKey
CWRMHXAUNFHUNE-UHFFFAOYSA-N
Compound name
3-amino-4-oxoquinazoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05415 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06143 142.3
[M+Na]+ 209.04337 155.7
[M+NH4]+ 204.08797 146.7
[M+K]+ 225.01731 146.3
[M-H]- 185.04687 136.9
[M+Na-2H]- 207.02882 146.3
[M]+ 186.05360 141.8
[M]- 186.05470 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.