CID 175192

72829-10-8

Structural Information

Molecular Formula
C29H32N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)N(CC)CC)C
InChI
InChI=1S/C29H32N2O3/c1-6-30(7-2)20-14-15-23-27(17-20)33-26-16-19(5)25(31(8-3)9-4)18-24(26)29(23)22-13-11-10-12-21(22)28(32)34-29/h10-18H,6-9H2,1-5H3
InChIKey
KOZJMQQDRDPMTR-UHFFFAOYSA-N
Compound name
2',6'-bis(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2413 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.24858 215.3
[M+Na]+ 479.23052 229.5
[M+NH4]+ 474.27512 225.4
[M+K]+ 495.20446 220.4
[M-H]- 455.23402 224.7
[M+Na-2H]- 477.21597 219.9
[M]+ 456.24075 220.5
[M]- 456.24185 220.5
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.