CID 105447714

8-chloro-2-methylquinazolin-4-amine

Structural Information

Molecular Formula
C9H8ClN3
SMILES
CC1=NC2=C(C=CC=C2Cl)C(=N1)N
InChI
InChI=1S/C9H8ClN3/c1-5-12-8-6(9(11)13-5)3-2-4-7(8)10/h2-4H,1H3,(H2,11,12,13)
InChIKey
KCQKQSWMDYTWDO-UHFFFAOYSA-N
Compound name
8-chloro-2-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 137.1
[M+Na]+ 216.02990 153.1
[M+NH4]+ 211.07450 146.6
[M+K]+ 232.00384 145.2
[M-H]- 192.03340 140.3
[M+Na-2H]- 214.01535 145.2
[M]+ 193.04013 140.7
[M]- 193.04123 140.7
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

No patent data available for this compound.