CID 3466745

2,4-diphenylbenzo[h]quinazoline

Structural Information

Molecular Formula
C24H16N2
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H16N2/c1-3-10-18(11-4-1)22-21-16-15-17-9-7-8-14-20(17)23(21)26-24(25-22)19-12-5-2-6-13-19/h1-16H
InChIKey
GEZASDFBKHUKNE-UHFFFAOYSA-N
Compound name
2,4-diphenylbenzo[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

332.13135 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13863 181.5
[M+Na]+ 355.12057 191.2
[M-H]- 331.12407 190.0
[M+NH4]+ 350.16517 193.4
[M+K]+ 371.09451 182.0
[M+H-H2O]+ 315.12861 168.9
[M+HCOO]- 377.12955 201.0
[M+CH3COO]- 391.14520 191.8
[M+Na-2H]- 353.10602 190.9
[M]+ 332.13080 181.3
[M]- 332.13190 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe