CID 18540774

4-amino-2-chloro-6,7-dimethylquinazoline

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CC1=CC2=C(C=C1C)N=C(N=C2N)Cl
InChI
InChI=1S/C10H10ClN3/c1-5-3-7-8(4-6(5)2)13-10(11)14-9(7)12/h3-4H,1-2H3,(H2,12,13,14)
InChIKey
LBMRLXOTDIRNJN-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dimethylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.05632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 143.4
[M+Na]+ 230.045538 155.6
[M-H]- 206.049044 145.6
[M+NH4]+ 225.090143 162.1
[M+K]+ 246.019478 150.1
[M+H-H2O]+ 190.053580 136.9
[M+HCOO]- 252.054521 160.6
[M+CH3COO]- 266.070171 156.8
[M+Na-2H]- 228.030986 150.3
[M]+ 207.05577142 145.3
[M]- 207.05686858 145.3
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