CID 389678

Nsc686130

Structural Information

Molecular Formula
C32H28N2O4
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(C6=CC=CC=C6)C(=O)C
InChI
InChI=1S/C32H28N2O4/c1-4-33(5-2)23-15-17-27-30(20-23)37-29-18-16-24(34(21(3)35)22-11-7-6-8-12-22)19-28(29)32(27)26-14-10-9-13-25(26)31(36)38-32/h6-20H,4-5H2,1-3H3
InChIKey
LTRYPUNJHFFAMO-UHFFFAOYSA-N
Compound name
N-[6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

504.2049 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.21218 225.2
[M+Na]+ 527.19412 230.9
[M-H]- 503.19762 239.3
[M+NH4]+ 522.23872 235.5
[M+K]+ 543.16806 229.0
[M+H-H2O]+ 487.20216 213.4
[M+HCOO]- 549.20310 241.6
[M+CH3COO]- 563.21875 233.3
[M+Na-2H]- 525.17957 226.8
[M]+ 504.20435 229.6
[M]- 504.20545 229.6
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.