CID 170669

42530-35-8

Structural Information

Molecular Formula
C36H30N2O3
SMILES
CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=CC(=C6)N(C)C7=CC=CC=C7
InChI
InChI=1S/C36H30N2O3/c1-4-38(26-16-14-24(2)15-17-26)28-18-20-31-34(23-28)40-33-21-19-27(37(3)25-10-6-5-7-11-25)22-32(33)36(31)30-13-9-8-12-29(30)35(39)41-36/h5-23H,4H2,1-3H3
InChIKey
PALATEZPVSTFIX-UHFFFAOYSA-N
Compound name
6'-(N-ethyl-4-methylanilino)-2'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

538.22565 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.23293 235.7
[M+Na]+ 561.21487 253.8
[M+NH4]+ 556.25947 246.5
[M+K]+ 577.18881 242.3
[M-H]- 537.21837 250.1
[M+Na-2H]- 559.20032 245.5
[M]+ 538.22510 243.1
[M]- 538.22620 243.1
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

patents stripe