CID 252879

2-chloroquinazolin-4-amine

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)Cl)N
InChI
InChI=1S/C8H6ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H,(H2,10,11,12)
InChIKey
YPNGRZOYTLZRBD-UHFFFAOYSA-N
Compound name
2-chloroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

261
Patents

179.02502 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032296 133.1
[M+Na]+ 202.014238 144.4
[M-H]- 178.017744 134.9
[M+NH4]+ 197.058843 152.3
[M+K]+ 217.988178 139.3
[M+H-H2O]+ 162.022280 126.5
[M+HCOO]- 224.023221 151.1
[M+CH3COO]- 238.038871 146.7
[M+Na-2H]- 199.999686 142.7
[M]+ 179.02447142 133.6
[M]- 179.02556858 133.6
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