CID 3018730

77549-04-3

Structural Information

Molecular Formula
C26H16Cl4N2O
SMILES
C1=CC=C(C(=C1)C2=NC3=C(C=C(C=C3)Cl)C(N2C4=CC=C(C=C4)Cl)(C5=CC=CC=C5Cl)O)Cl
InChI
InChI=1S/C26H16Cl4N2O/c27-16-9-12-18(13-10-16)32-25(19-5-1-3-7-22(19)29)31-24-14-11-17(28)15-21(24)26(32,33)20-6-2-4-8-23(20)30/h1-15,33H
InChIKey
UGUCDYZEIOZSSC-UHFFFAOYSA-N
Compound name
6-chloro-2,4-bis(2-chlorophenyl)-3-(4-chlorophenyl)quinazolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.00165 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.00893 211.5
[M+Na]+ 534.99087 222.4
[M-H]- 510.99437 216.7
[M+NH4]+ 530.03547 218.6
[M+K]+ 550.96481 213.3
[M+H-H2O]+ 494.99891 199.4
[M+HCOO]- 556.99985 207.9
[M+CH3COO]- 571.01550 217.6
[M+Na-2H]- 532.97632 211.5
[M]+ 512.00110 214.2
[M]- 512.00220 214.2
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.