CID 116702

70815-12-2

Structural Information

Molecular Formula
C32H28N2O5
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C
InChI
InChI=1S/C32H28N2O5/c1-4-34(5-2)22-12-14-25-29(17-22)38-28-15-19(3)27(33-21-9-7-6-8-10-21)18-26(28)32(25)24-13-11-20(30(35)36)16-23(24)31(37)39-32/h6-18,33H,4-5H2,1-3H3,(H,35,36)
InChIKey
IWQSPSSKNLJZMH-UHFFFAOYSA-N
Compound name
2'-anilino-6'-(diethylamino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1998 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.20708 228.5
[M+Na]+ 543.18902 243.2
[M+NH4]+ 538.23362 237.0
[M+K]+ 559.16296 234.8
[M-H]- 519.19252 238.6
[M+Na-2H]- 541.17447 233.9
[M]+ 520.19925 233.8
[M]- 520.20035 233.8
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.