CID 55817

88461-82-9

Structural Information

Molecular Formula
C24H28N2O6S
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)CN4CCOCC4
InChI
InChI=1S/C24H28N2O6S/c1-4-31-24(27)23-20-15-18(32-33(28,29)19-8-5-17(2)6-9-19)7-10-21(20)25(3)22(23)16-26-11-13-30-14-12-26/h5-10,15H,4,11-14,16H2,1-3H3
InChIKey
YNOXCAOYURRURJ-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1668 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.17408 212.4
[M+Na]+ 495.15602 219.5
[M-H]- 471.15952 221.3
[M+NH4]+ 490.20062 219.5
[M+K]+ 511.12996 216.6
[M+H-H2O]+ 455.16406 203.4
[M+HCOO]- 517.16500 223.2
[M+CH3COO]- 531.18065 232.2
[M+Na-2H]- 493.14147 211.6
[M]+ 472.16625 220.0
[M]- 472.16735 220.0
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.