CID 6435960

4(3h)-quinazolinone, 3-(4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-1h-imidazol-1-yl)-2-methyl-

Structural Information

Molecular Formula
C20H16N4O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N3C(=N/C(=C\C4=CC=CC=C4)/C3=O)C
InChI
InChI=1S/C20H16N4O2/c1-13-21-17-11-7-6-10-16(17)19(25)23(13)24-14(2)22-18(20(24)26)12-15-8-4-3-5-9-15/h3-12H,1-2H3/b18-12-
InChIKey
DCGNKYFXNKABRN-PDGQHHTCSA-N
Compound name
3-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 184.9
[M+Na]+ 367.11654 196.5
[M-H]- 343.12004 191.4
[M+NH4]+ 362.16114 195.6
[M+K]+ 383.09048 188.6
[M+H-H2O]+ 327.12458 173.5
[M+HCOO]- 389.12552 202.8
[M+CH3COO]- 403.14117 195.3
[M+Na-2H]- 365.10199 186.2
[M]+ 344.12677 186.3
[M]- 344.12787 186.3
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.