CID 119376

Gr 113808

Structural Information

Molecular Formula
C19H27N3O4S
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
InChI
InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
InChIKey
MOZPSIXKYJUTKI-UHFFFAOYSA-N
Compound name
[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

182
References

378
Patents

393.17224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.179516 192.9
[M+Na]+ 416.161458 198.7
[M-H]- 392.164964 197.3
[M+NH4]+ 411.206063 204.4
[M+K]+ 432.135398 194.4
[M+H-H2O]+ 376.169500 184.7
[M+HCOO]- 438.170441 205.4
[M+CH3COO]- 452.186091 219.3
[M+Na-2H]- 414.146906 193.4
[M]+ 393.17169142 196.7
[M]- 393.17278858 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe