CID 20360443

3-amino-6-chloro-2-methyl-4-phenylquinazolin-4-ol

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(N1N)(C3=CC=CC=C3)O
InChI
InChI=1S/C15H14ClN3O/c1-10-18-14-8-7-12(16)9-13(14)15(20,19(10)17)11-5-3-2-4-6-11/h2-9,20H,17H2,1H3
InChIKey
IEQYCNKKNGEMAN-UHFFFAOYSA-N
Compound name
3-amino-6-chloro-2-methyl-4-phenylquinazolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

287.08255 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.089826 164.6
[M+Na]+ 310.071768 175.4
[M-H]- 286.075274 168.3
[M+NH4]+ 305.116373 180.6
[M+K]+ 326.045708 168.4
[M+H-H2O]+ 270.079810 156.6
[M+HCOO]- 332.080751 178.8
[M+CH3COO]- 346.096401 175.8
[M+Na-2H]- 308.057216 171.0
[M]+ 287.08200142 164.4
[M]- 287.08309858 164.4
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