CID 112211

70516-51-7

Structural Information

Molecular Formula
C35H36N2O3
SMILES
CCCCCCN(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/C35H36N2O3/c1-4-6-7-13-20-37(5-2)26-18-19-29-33(22-26)39-32-21-24(3)31(36-25-14-9-8-10-15-25)23-30(32)35(29)28-17-12-11-16-27(28)34(38)40-35/h8-12,14-19,21-23,36H,4-7,13,20H2,1-3H3
InChIKey
RYSOWSAJXSTJPE-UHFFFAOYSA-N
Compound name
2'-anilino-6'-[ethyl(hexyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2726 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.27988 238.0
[M+Na]+ 555.26182 253.5
[M+NH4]+ 550.30642 247.8
[M+K]+ 571.23576 242.0
[M-H]- 531.26532 249.5
[M+Na-2H]- 553.24727 244.2
[M]+ 532.27205 244.0
[M]- 532.27315 244.0
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.