CID 10188128

136538-85-7

Structural Information

Molecular Formula
C26H24IN3O4
SMILES
CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC(=O)CI)C(=O)O3)C5=C(O2)C=C(C=C5)N(C)C
InChI
InChI=1S/C26H24IN3O4/c1-29(2)16-6-9-20-22(12-16)33-23-13-17(30(3)4)7-10-21(23)26(20)19-8-5-15(28-24(31)14-27)11-18(19)25(32)34-26/h5-13H,14H2,1-4H3,(H,28,31)
InChIKey
HENCSKZMSUJDLA-UHFFFAOYSA-N
Compound name
N-[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

569.0812 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.08848 230.5
[M+Na]+ 592.07042 234.7
[M+NH4]+ 587.11502 234.6
[M+K]+ 608.04436 230.6
[M-H]- 568.07392 232.4
[M+Na-2H]- 590.05587 221.2
[M]+ 569.08065 230.7
[M]- 569.08175 230.7
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