CID 122402

29512-49-0

Structural Information

Molecular Formula
C31H28N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C
InChI
InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3
InChIKey
WQFYAGVHZYFXDO-UHFFFAOYSA-N
Compound name
2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1079
Patents

476.21 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.21728 219.9
[M+Na]+ 499.19922 236.4
[M+NH4]+ 494.24382 230.5
[M+K]+ 515.17316 225.9
[M-H]- 475.20272 231.7
[M+Na-2H]- 497.18467 227.4
[M]+ 476.20945 226.2
[M]- 476.21055 226.2
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