CID 22394329

4-aminoquinazoline-7-carboxamide

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC2=C(C=C1C(=O)N)N=CN=C2N
InChI
InChI=1S/C9H8N4O/c10-8-6-2-1-5(9(11)14)3-7(6)12-4-13-8/h1-4H,(H2,11,14)(H2,10,12,13)
InChIKey
ZFBUDRGWFJDYAP-UHFFFAOYSA-N
Compound name
4-aminoquinazoline-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

188.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 138.1
[M+Na]+ 211.059028 147.3
[M-H]- 187.062534 139.7
[M+NH4]+ 206.103633 155.3
[M+K]+ 227.032968 143.8
[M+H-H2O]+ 171.067070 130.5
[M+HCOO]- 233.068011 160.3
[M+CH3COO]- 247.083661 187.2
[M+Na-2H]- 209.044476 146.0
[M]+ 188.06926142 135.4
[M]- 188.07035858 135.4
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