CID 21183908

2-aminoquinazoline-6-carbonitrile

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC2=NC(=NC=C2C=C1C#N)N
InChI
InChI=1S/C9H6N4/c10-4-6-1-2-8-7(3-6)5-12-9(11)13-8/h1-3,5H,(H2,11,12,13)
InChIKey
FWPZFWVGDNVXFV-UHFFFAOYSA-N
Compound name
2-aminoquinazoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.05925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.066526 136.0
[M+Na]+ 193.048468 147.4
[M-H]- 169.051974 136.7
[M+NH4]+ 188.093073 152.2
[M+K]+ 209.022408 142.5
[M+H-H2O]+ 153.056510 121.9
[M+HCOO]- 215.057451 154.3
[M+CH3COO]- 229.073101 147.4
[M+Na-2H]- 191.033916 144.3
[M]+ 170.05870142 129.4
[M]- 170.05979858 129.4
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

patents stripe