CID 57354584

85391-02-2

Structural Information

Molecular Formula
C32H31NO3
SMILES
CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65
InChI
InChI=1S/C32H31NO3/c1-3-5-19-33(20-6-4-2)23-16-17-27-29(21-23)35-28-18-15-22-11-7-8-12-24(22)30(28)32(27)26-14-10-9-13-25(26)31(34)36-32/h7-18,21H,3-6,19-20H2,1-2H3
InChIKey
PJHKDRUZMMAVQZ-UHFFFAOYSA-N
Compound name
9'-(dibutylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.2304 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.23768 220.5
[M+Na]+ 500.21962 227.4
[M-H]- 476.22312 230.9
[M+NH4]+ 495.26422 233.3
[M+K]+ 516.19356 222.5
[M+H-H2O]+ 460.22766 208.8
[M+HCOO]- 522.22860 234.5
[M+CH3COO]- 536.24425 228.5
[M+Na-2H]- 498.20507 223.0
[M]+ 477.22985 225.2
[M]- 477.23095 225.2
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

No patent data available for this compound.