CID 337293

86456-20-4

Structural Information

Molecular Formula
C24H24N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC4=CC=CC(=C4C3=O)NCCN(C)C
InChI
InChI=1S/C24H24N2O5S/c1-16-7-10-18(11-8-16)32(28,29)31-17-9-12-21-19(15-17)24(27)23-20(25-13-14-26(2)3)5-4-6-22(23)30-21/h4-12,15,25H,13-14H2,1-3H3
InChIKey
FGZKSRRBULAADD-UHFFFAOYSA-N
Compound name
[8-[2-(dimethylamino)ethylamino]-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1406 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.14788 206.9
[M+Na]+ 475.12982 215.5
[M-H]- 451.13332 217.5
[M+NH4]+ 470.17442 216.8
[M+K]+ 491.10376 212.6
[M+H-H2O]+ 435.13786 196.9
[M+HCOO]- 497.13880 224.7
[M+CH3COO]- 511.15445 239.1
[M+Na-2H]- 473.11527 213.9
[M]+ 452.14005 216.9
[M]- 452.14115 216.9
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.