CID 6435979

Brn 5656967

Structural Information

Molecular Formula
C23H17BrN4O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=O)N2NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H17BrN4O4/c1-32-19-10-2-15(3-11-19)4-13-22-25-21-12-5-16(24)14-20(21)23(29)27(22)26-17-6-8-18(9-7-17)28(30)31/h2-14,26H,1H3/b13-4+
InChIKey
QEBGRWNZLOQIKV-YIXHJXPBSA-N
Compound name
6-bromo-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

492.04333 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.05061 207.1
[M+Na]+ 515.03255 214.1
[M+NH4]+ 510.07715 209.7
[M+K]+ 531.00649 213.6
[M-H]- 491.03605 212.3
[M+Na-2H]- 513.01800 212.2
[M]+ 492.04278 208.4
[M]- 492.04388 208.4
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.