CID 170621

Spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-2'-methyl-

Structural Information

Molecular Formula
C30H25NO3
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)C
InChI
InChI=1S/C30H25NO3/c1-4-31(21-12-9-19(2)10-13-21)22-14-15-25-28(18-22)33-27-16-11-20(3)17-26(27)30(25)24-8-6-5-7-23(24)29(32)34-30/h5-18H,4H2,1-3H3
InChIKey
WZEDZFRFJVWYBI-UHFFFAOYSA-N
Compound name
6'-(N-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

447.18344 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.19072 212.1
[M+Na]+ 470.17266 221.2
[M-H]- 446.17616 226.0
[M+NH4]+ 465.21726 225.4
[M+K]+ 486.14660 217.1
[M+H-H2O]+ 430.18070 200.9
[M+HCOO]- 492.18164 228.7
[M+CH3COO]- 506.19729 221.9
[M+Na-2H]- 468.15811 214.7
[M]+ 447.18289 215.8
[M]- 447.18399 215.8
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