CID 4284721

144625-67-2

Structural Information

Molecular Formula
C19H26FN3O5S
SMILES
COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
InChI
InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
InChIKey
SSPCCAYAIDNNJX-UHFFFAOYSA-N
Compound name
[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

140
References

95
Patents

427.1577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16498 197.5
[M+Na]+ 450.14692 203.3
[M-H]- 426.15042 199.4
[M+NH4]+ 445.19152 206.9
[M+K]+ 466.12086 198.5
[M+H-H2O]+ 410.15496 188.8
[M+HCOO]- 472.15590 207.5
[M+CH3COO]- 486.17155 223.2
[M+Na-2H]- 448.13237 197.0
[M]+ 427.15715 200.4
[M]- 427.15825 200.4
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