CID 84759

15018-66-3

Structural Information

Molecular Formula
C8H7N3
SMILES
C1=CC=C2C(=C1)C(=NC=N2)N
InChI
InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
InChIKey
DRYRBWIFRVMRPV-UHFFFAOYSA-N
Compound name
quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

5708
Patents

145.064 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 126.7
[M+Na]+ 168.05322 136.3
[M-H]- 144.05672 128.4
[M+NH4]+ 163.09782 146.1
[M+K]+ 184.02716 132.9
[M+H-H2O]+ 128.06126 119.4
[M+HCOO]- 190.06220 149.3
[M+CH3COO]- 204.07785 140.4
[M+Na-2H]- 166.03867 137.6
[M]+ 145.06345 124.8
[M]- 145.06455 124.8
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