CID 135908256

(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime

Structural Information

Molecular Formula
C25H19FN2O4
SMILES
C1C2=C(C(=CC(=C2)F)CN3C4=CC=CC(=C4C(=C3O)N=O)/C=C/C5=CC=CC=C5)OCO1
InChI
InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,29H,13-15H2/b10-9+
InChIKey
WMFLJVNGJFEVOK-MDZDMXLPSA-N
Compound name
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-4-[(E)-2-phenylethenyl]indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

430.13287 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14015 203.6
[M+Na]+ 453.12209 213.1
[M-H]- 429.12559 214.4
[M+NH4]+ 448.16669 212.5
[M+K]+ 469.09603 208.3
[M+H-H2O]+ 413.13013 192.2
[M+HCOO]- 475.13107 221.6
[M+CH3COO]- 489.14672 213.3
[M+Na-2H]- 451.10754 206.3
[M]+ 430.13232 207.0
[M]- 430.13342 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe