CID 21116487

21121-61-9

Structural Information

Molecular Formula
C23H18ClNO3
SMILES
CC1=CC2=C(C=C1Cl)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C23H18ClNO3/c1-13-10-20-18(12-19(13)24)23(16-7-5-4-6-15(16)22(26)28-23)17-9-8-14(25(2)3)11-21(17)27-20/h4-12H,1-3H3
InChIKey
HJHGXGDBGOPUTJ-UHFFFAOYSA-N
Compound name
2'-chloro-6'-(dimethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.09753 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10481 190.4
[M+Na]+ 414.08675 208.0
[M+NH4]+ 409.13135 202.2
[M+K]+ 430.06069 198.5
[M-H]- 390.09025 199.7
[M+Na-2H]- 412.07220 196.8
[M]+ 391.09698 196.5
[M]- 391.09808 196.5
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.