CID 63119

4(3h)-quinazolinone, 3,3'-ethylenebis(2-methyl-

Structural Information

Molecular Formula
C20H18N4O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCN3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C20H18N4O2/c1-13-21-17-9-5-3-7-15(17)19(25)23(13)11-12-24-14(2)22-18-10-6-4-8-16(18)20(24)26/h3-10H,11-12H2,1-2H3
InChIKey
ZPUCKESSNXQKLV-UHFFFAOYSA-N
Compound name
2-methyl-3-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 187.0
[M+Na]+ 369.13219 200.2
[M-H]- 345.13569 191.2
[M+NH4]+ 364.17679 197.0
[M+K]+ 385.10613 192.0
[M+H-H2O]+ 329.14023 174.8
[M+HCOO]- 391.14117 204.7
[M+CH3COO]- 405.15682 197.4
[M+Na-2H]- 367.11764 193.9
[M]+ 346.14242 192.1
[M]- 346.14352 192.1
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

No patent data available for this compound.