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 198.2
[M+Na]+ 437.12202 204.3
[M-H]- 413.12552 206.2
[M+NH4]+ 432.16662 204.6
[M+K]+ 453.09596 193.5
[M+H-H2O]+ 397.13006 189.8
[M+HCOO]- 459.13100 219.6
[M+CH3COO]- 473.14665 222.4
[M+Na-2H]- 435.10747 205.9
[M]+ 414.13225 197.9
[M]- 414.13335 197.9
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.