CID 6435978

Brn 5648737

Structural Information

Molecular Formula
C23H18N4O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H18N4O4/c1-31-19-13-6-16(7-14-19)8-15-22-24-21-5-3-2-4-20(21)23(28)26(22)25-17-9-11-18(12-10-17)27(29)30/h2-15,25H,1H3/b15-8+
InChIKey
FWVDMNQOXZFWJZ-OVCLIPMQSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-nitroanilino)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14008 197.0
[M+Na]+ 437.12202 214.3
[M+NH4]+ 432.16662 203.3
[M+K]+ 453.09596 207.8
[M-H]- 413.12552 204.6
[M+Na-2H]- 435.10747 206.9
[M]+ 414.13225 201.6
[M]- 414.13335 201.6
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.