CID 116705

70815-15-5

Structural Information

Molecular Formula
C34H32N2O5
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(C=CC(=C4)C(=O)OCC)C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C
InChI
InChI=1S/C34H32N2O5/c1-5-36(6-2)24-14-16-26-31(19-24)40-30-17-21(4)29(35-23-11-9-8-10-12-23)20-28(30)34(26)27-18-22(32(37)39-7-3)13-15-25(27)33(38)41-34/h8-20,35H,5-7H2,1-4H3
InChIKey
UOMJOBLZGCGPQV-UHFFFAOYSA-N
Compound name
ethyl 2'-anilino-6'-(diethylamino)-3'-methyl-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.23114 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.23842 237.2
[M+Na]+ 571.22036 251.9
[M+NH4]+ 566.26496 245.7
[M+K]+ 587.19430 242.8
[M-H]- 547.22386 247.6
[M+Na-2H]- 569.20581 242.6
[M]+ 548.23059 242.6
[M]- 548.23169 242.6
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.