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 207.5
[M+Na]+ 515.03255 216.0
[M-H]- 491.03605 217.6
[M+NH4]+ 510.07715 215.1
[M+K]+ 531.00649 198.8
[M+H-H2O]+ 475.04059 205.5
[M+HCOO]- 537.04153 226.2
[M+CH3COO]- 551.05718 230.4
[M+Na-2H]- 513.01800 214.7
[M]+ 492.04278 226.5
[M]- 492.04388 226.5
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.