CID 6435939

114496-21-8

Structural Information

Molecular Formula
C21H18N4O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N3C(=N/C(=C\C4=CC=C(C=C4)OC)/C3=O)C
InChI
InChI=1S/C21H18N4O3/c1-13-22-18-7-5-4-6-17(18)20(26)24(13)25-14(2)23-19(21(25)27)12-15-8-10-16(28-3)11-9-15/h4-12H,1-3H3/b19-12-
InChIKey
OUVTYTJZNDPMNW-UNOMPAQXSA-N
Compound name
3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13788 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 192.6
[M+Na]+ 397.12710 204.3
[M-H]- 373.13060 199.3
[M+NH4]+ 392.17170 202.2
[M+K]+ 413.10104 196.9
[M+H-H2O]+ 357.13514 181.1
[M+HCOO]- 419.13608 210.2
[M+CH3COO]- 433.15173 202.7
[M+Na-2H]- 395.11255 192.8
[M]+ 374.13733 196.1
[M]- 374.13843 196.1
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.