CID 174447

Einecs 286-671-2

Structural Information

Molecular Formula
C37H38N2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(CC6=CC=CC=C6)C7CCCCC7
InChI
InChI=1S/C37H38N2O3/c1-3-38(4-2)28-19-21-32-35(24-28)41-34-22-20-29(23-33(34)37(32)31-18-12-11-17-30(31)36(40)42-37)39(27-15-9-6-10-16-27)25-26-13-7-5-8-14-26/h5,7-8,11-14,17-24,27H,3-4,6,9-10,15-16,25H2,1-2H3
InChIKey
MEMPWOSQQAPWBU-UHFFFAOYSA-N
Compound name
2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

558.28827 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.29555 241.9
[M+Na]+ 581.27749 256.8
[M+NH4]+ 576.32209 252.4
[M+K]+ 597.25143 245.6
[M-H]- 557.28099 255.5
[M+Na-2H]- 579.26294 249.2
[M]+ 558.28772 248.4
[M]- 558.28882 248.4
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

patents stripe