CID 57503665

773871-49-1

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)CO)Cl
InChI
InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-7,20H,8H2
InChIKey
FKDMILITBFQKKT-UHFFFAOYSA-N
Compound name
[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01703 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02431 165.8
[M+Na]+ 327.00625 184.8
[M+NH4]+ 322.05085 175.3
[M+K]+ 342.98019 174.6
[M-H]- 303.00975 170.4
[M+Na-2H]- 324.99170 175.6
[M]+ 304.01648 170.7
[M]- 304.01758 170.7
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.