CID 206383

49797-12-8

Structural Information

Molecular Formula
C20H13ClN2O
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H13ClN2O/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)23-20(22-18)14-6-9-16(24)10-7-14/h1-12,24H
InChIKey
COPVJTCVSJLTDT-UHFFFAOYSA-N
Compound name
4-(6-chloro-4-phenylquinazolin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07166 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07894 177.2
[M+Na]+ 355.06088 187.7
[M-H]- 331.06438 183.8
[M+NH4]+ 350.10548 189.0
[M+K]+ 371.03482 178.9
[M+H-H2O]+ 315.06892 166.6
[M+HCOO]- 377.06986 191.5
[M+CH3COO]- 391.08551 187.7
[M+Na-2H]- 353.04633 183.5
[M]+ 332.07111 178.5
[M]- 332.07221 178.5
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.