CID 44146702

Spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 6'-(ethylhexylamino)-2'-(phenylamino)-

Structural Information

Molecular Formula
C34H34N2O3
SMILES
CCCCCCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6
InChI
InChI=1S/C34H34N2O3/c1-3-5-6-12-21-36(4-2)26-18-19-29-32(23-26)38-31-20-17-25(35-24-13-8-7-9-14-24)22-30(31)34(29)28-16-11-10-15-27(28)33(37)39-34/h7-11,13-20,22-23,35H,3-6,12,21H2,1-2H3
InChIKey
VIHKGKGKWXKUCK-UHFFFAOYSA-N
Compound name
2'-anilino-6'-[ethyl(hexyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

518.25696 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.26424 230.6
[M+Na]+ 541.24618 235.8
[M-H]- 517.24968 242.9
[M+NH4]+ 536.29078 240.1
[M+K]+ 557.22012 231.2
[M+H-H2O]+ 501.25422 218.2
[M+HCOO]- 563.25516 246.6
[M+CH3COO]- 577.27081 237.6
[M+Na-2H]- 539.23163 232.7
[M]+ 518.25641 234.4
[M]- 518.25751 234.4
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.