CID 6435986

114496-27-4

Structural Information

Molecular Formula
C22H20N4O3
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1N3C(=N/C(=C\C4=CC=C(C=C4)OC)/C3=O)C
InChI
InChI=1S/C22H20N4O3/c1-4-20-24-18-8-6-5-7-17(18)21(27)26(20)25-14(2)23-19(22(25)28)13-15-9-11-16(29-3)12-10-15/h5-13H,4H2,1-3H3/b19-13-
InChIKey
WLOLLVQFMCNBLN-UYRXBGFRSA-N
Compound name
2-ethyl-3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15353 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16081 195.7
[M+Na]+ 411.14275 212.2
[M+NH4]+ 406.18735 201.1
[M+K]+ 427.11669 206.0
[M-H]- 387.14625 199.4
[M+Na-2H]- 409.12820 202.6
[M]+ 388.15298 199.1
[M]- 388.15408 199.1
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.