CID 6435985

114496-26-3

Structural Information

Molecular Formula
C21H18N4O2
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1N3C(=N/C(=C\C4=CC=CC=C4)/C3=O)C
InChI
InChI=1S/C21H18N4O2/c1-3-19-23-17-12-8-7-11-16(17)20(26)25(19)24-14(2)22-18(21(24)27)13-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3/b18-13-
InChIKey
RECWSQBBQBGMFQ-AQTBWJFISA-N
Compound name
3-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]-2-ethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14297 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 189.3
[M+Na]+ 381.13219 200.4
[M-H]- 357.13569 195.6
[M+NH4]+ 376.17679 199.4
[M+K]+ 397.10613 192.3
[M+H-H2O]+ 341.14023 177.6
[M+HCOO]- 403.14117 206.8
[M+CH3COO]- 417.15682 199.3
[M+Na-2H]- 379.11764 190.1
[M]+ 358.14242 191.0
[M]- 358.14352 191.0
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.