CID 175192

Einecs 276-902-5

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
2
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 217.0
[M+Na]+ 479.23052 224.3
[M-H]- 455.23402 228.6
[M+NH4]+ 474.27512 230.8
[M+K]+ 495.20446 221.9
[M+H-H2O]+ 439.23856 207.0
[M+HCOO]- 501.23950 234.1
[M+CH3COO]- 515.25515 226.3
[M+Na-2H]- 477.21597 218.5
[M]+ 456.24075 223.7
[M]- 456.24185 223.7
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.