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]+ 189.07709 138.1
[M+Na]+ 211.05903 147.3
[M-H]- 187.06253 139.7
[M+NH4]+ 206.10363 155.3
[M+K]+ 227.03297 143.8
[M+H-H2O]+ 171.06707 130.5
[M+HCOO]- 233.06801 160.3
[M+CH3COO]- 247.08366 187.2
[M+Na-2H]- 209.04448 146.0
[M]+ 188.06926 135.4
[M]- 188.07036 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