CID 21156051

71832-61-6

Structural Information

Molecular Formula
C33H30N2O5
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)OCC)C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6
InChI
InChI=1S/C33H30N2O5/c1-4-35(5-2)24-14-16-27-30(20-24)39-29-17-13-23(34-22-10-8-7-9-11-22)19-28(29)33(27)26-15-12-21(31(36)38-6-3)18-25(26)32(37)40-33/h7-20,34H,4-6H2,1-3H3
InChIKey
JVBDNPRCZJKROM-UHFFFAOYSA-N
Compound name
ethyl 2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.21545 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.22273 232.7
[M+Na]+ 557.20467 247.2
[M+NH4]+ 552.24927 241.3
[M+K]+ 573.17861 238.2
[M-H]- 533.20817 243.0
[M+Na-2H]- 555.19012 238.5
[M]+ 534.21490 238.0
[M]- 534.21600 238.0
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.