CID 11189397

188113-71-5

Structural Information

Molecular Formula
C24H26N2O3S
SMILES
CC(=O)N1C=C(C2=C1C=CC(=C2)/C=C/S(=O)(=O)C3=CC=CC=C3)C[C@H]4CCCN4C
InChI
InChI=1S/C24H26N2O3S/c1-18(27)26-17-20(16-21-7-6-13-25(21)2)23-15-19(10-11-24(23)26)12-14-30(28,29)22-8-4-3-5-9-22/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3/b14-12+/t21-/m1/s1
InChIKey
MDVODIFOKYRNHD-ZISLFAKRSA-N
Compound name
1-[5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

422.1664 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17368 201.6
[M+Na]+ 445.15562 213.9
[M+NH4]+ 440.20022 207.9
[M+K]+ 461.12956 208.4
[M-H]- 421.15912 204.9
[M+Na-2H]- 443.14107 207.3
[M]+ 422.16585 204.7
[M]- 422.16695 204.7
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