CID 169735

Einecs 252-800-6

Structural Information

Molecular Formula
C27H25NO3
SMILES
CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)NC6CCCCC6
InChI
InChI=1S/C27H25NO3/c1-17-11-14-24-23(15-17)27(21-10-6-5-9-20(21)26(29)31-27)22-13-12-19(16-25(22)30-24)28-18-7-3-2-4-8-18/h5-6,9-16,18,28H,2-4,7-8H2,1H3
InChIKey
OJMMRJXMDLNRFW-UHFFFAOYSA-N
Compound name
6'-(cyclohexylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

411.18344 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19072 197.3
[M+Na]+ 434.17266 204.1
[M-H]- 410.17616 208.9
[M+NH4]+ 429.21726 211.2
[M+K]+ 450.14660 199.2
[M+H-H2O]+ 394.18070 186.9
[M+HCOO]- 456.18164 210.5
[M+CH3COO]- 470.19729 206.3
[M+Na-2H]- 432.15811 200.4
[M]+ 411.18289 194.7
[M]- 411.18399 194.7
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

patents stripe