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 193.4
[M+Na]+ 414.08675 205.4
[M-H]- 390.09025 205.0
[M+NH4]+ 409.13135 210.9
[M+K]+ 430.06069 201.2
[M+H-H2O]+ 374.09479 185.5
[M+HCOO]- 436.09573 207.0
[M+CH3COO]- 450.11138 205.2
[M+Na-2H]- 412.07220 197.7
[M]+ 391.09698 200.5
[M]- 391.09808 200.5
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

patents stripe