CID 6435936

3-anilino-6-iodo-2-(ar,ar-(methylenedioxy)styryl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C23H16IN3O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3NC5=CC=CC=C5
InChI
InChI=1S/C23H16IN3O3/c24-16-8-9-19-18(13-16)23(28)27(26-17-4-2-1-3-5-17)22(25-19)11-7-15-6-10-20-21(12-15)30-14-29-20/h1-13,26H,14H2/b11-7+
InChIKey
SRRIQCYPQHXOIS-YRNVUSSQSA-N
Compound name
3-anilino-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodoquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.02365 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.03093 199.2
[M+Na]+ 532.01287 201.4
[M-H]- 508.01637 201.7
[M+NH4]+ 527.05747 203.1
[M+K]+ 547.98681 201.9
[M+H-H2O]+ 492.02091 184.6
[M+HCOO]- 554.02185 212.3
[M+CH3COO]- 568.03750 204.6
[M+Na-2H]- 529.99832 192.8
[M]+ 509.02310 198.4
[M]- 509.02420 198.4
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.