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

9
Patents

287.08255 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 164.6
[M+Na]+ 310.07177 175.4
[M-H]- 286.07527 168.3
[M+NH4]+ 305.11637 180.6
[M+K]+ 326.04571 168.4
[M+H-H2O]+ 270.07981 156.6
[M+HCOO]- 332.08075 178.8
[M+CH3COO]- 346.09640 175.8
[M+Na-2H]- 308.05722 171.0
[M]+ 287.08200 164.4
[M]- 287.08310 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