CID 1479552

190273-70-2

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CC2=NC(=NC=C2C(=C1)Cl)N
InChI
InChI=1S/C8H6ClN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
InChIKey
NUJGYORYWLHYGS-UHFFFAOYSA-N
Compound name
5-chloroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

179.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.1
[M+Na]+ 202.01424 144.4
[M-H]- 178.01774 134.9
[M+NH4]+ 197.05884 152.3
[M+K]+ 217.98818 139.3
[M+H-H2O]+ 162.02228 126.5
[M+HCOO]- 224.02322 151.1
[M+CH3COO]- 238.03887 146.7
[M+Na-2H]- 199.99969 142.7
[M]+ 179.02447 133.6
[M]- 179.02557 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

No literature data available for this compound.

Patent stripe

patents stripe