CID 13668872

82137-81-3

Structural Information

Molecular Formula
C34H33ClN2O3
SMILES
CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6Cl
InChI
InChI=1S/C34H33ClN2O3/c1-3-5-19-37(20-6-4-2)24-16-17-27-32(22-24)39-31-18-15-23(36-30-14-10-9-13-29(30)35)21-28(31)34(27)26-12-8-7-11-25(26)33(38)40-34/h7-18,21-22,36H,3-6,19-20H2,1-2H3
InChIKey
ZXYPDMNPLWGWBI-UHFFFAOYSA-N
Compound name
2'-(2-chloroanilino)-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

552.21796 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.22524 240.7
[M+Na]+ 575.20718 257.3
[M+NH4]+ 570.25178 250.9
[M+K]+ 591.18112 245.0
[M-H]- 551.21068 252.3
[M+Na-2H]- 573.19263 247.2
[M]+ 552.21741 247.2
[M]- 552.21851 247.2
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