CID 108361

55772-72-0

Structural Information

Molecular Formula
C31H26N2O3
SMILES
CC1=CC2=C(C=C1NC3=CC=CC=C3)C4(C5=C(O2)C=C(C=C5)N6CCCC6)C7=CC=CC=C7C(=O)O4
InChI
InChI=1S/C31H26N2O3/c1-20-17-28-26(19-27(20)32-21-9-3-2-4-10-21)31(24-12-6-5-11-23(24)30(34)36-31)25-14-13-22(18-29(25)35-28)33-15-7-8-16-33/h2-6,9-14,17-19,32H,7-8,15-16H2,1H3
InChIKey
JFNWGAYGVJGNBG-UHFFFAOYSA-N
Compound name
2'-anilino-3'-methyl-6'-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1458
Patents

474.19434 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.20162 216.5
[M+Na]+ 497.18356 233.0
[M+NH4]+ 492.22816 227.3
[M+K]+ 513.15750 224.6
[M-H]- 473.18706 228.4
[M+Na-2H]- 495.16901 223.8
[M]+ 474.19379 222.7
[M]- 474.19489 222.7
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

patents stripe