CID 12611943

54567-12-3

Structural Information

Molecular Formula
C15H13Cl2N3O
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(N1N)(C3=CC=CC=C3Cl)O
InChI
InChI=1S/C15H13Cl2N3O/c1-9-19-14-7-6-10(16)8-12(14)15(21,20(9)18)11-4-2-3-5-13(11)17/h2-8,21H,18H2,1H3
InChIKey
BLYWAXNJULTJLN-UHFFFAOYSA-N
Compound name
3-amino-6-chloro-4-(2-chlorophenyl)-2-methylquinazolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

321.04358 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05086 169.3
[M+Na]+ 344.03280 181.2
[M-H]- 320.03630 172.5
[M+NH4]+ 339.07740 184.7
[M+K]+ 360.00674 173.4
[M+H-H2O]+ 304.04084 162.1
[M+HCOO]- 366.04178 178.5
[M+CH3COO]- 380.05743 180.1
[M+Na-2H]- 342.01825 174.3
[M]+ 321.04303 170.8
[M]- 321.04413 170.8
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