CID 112647

Einecs 264-141-1

Structural Information

Molecular Formula
C35H28N2O3
SMILES
CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=CC(=C6)NC7=CC=CC=C7
InChI
InChI=1S/C35H28N2O3/c1-3-37(26-16-13-23(2)14-17-26)27-18-19-30-33(22-27)39-32-20-15-25(36-24-9-5-4-6-10-24)21-31(32)35(30)29-12-8-7-11-28(29)34(38)40-35/h4-22,36H,3H2,1-2H3
InChIKey
KSQRPGOLPPYMJS-UHFFFAOYSA-N
Compound name
2'-anilino-6'-(N-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.21 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.21728 232.6
[M+Na]+ 547.19922 250.8
[M+NH4]+ 542.24382 243.4
[M+K]+ 563.17316 239.0
[M-H]- 523.20272 246.8
[M+Na-2H]- 545.18467 242.3
[M]+ 524.20945 239.9
[M]- 524.21055 239.9
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.