CID 9800584

Fk-613

Structural Information

Molecular Formula
C18H22N4O2S2
SMILES
CS(=O)(=O)NC1=NC(=CS1)CN2CCC(CC2)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H22N4O2S2/c1-26(23,24)21-18-20-14(12-25-18)11-22-8-6-13(7-9-22)16-10-19-17-5-3-2-4-15(16)17/h2-5,10,12-13,19H,6-9,11H2,1H3,(H,20,21)
InChIKey
XLFASBVDVQTBES-UHFFFAOYSA-N
Compound name
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

390.1184 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12568 188.3
[M+Na]+ 413.10762 197.3
[M-H]- 389.11112 194.3
[M+NH4]+ 408.15222 200.7
[M+K]+ 429.08156 190.3
[M+H-H2O]+ 373.11566 182.0
[M+HCOO]- 435.11660 196.8
[M+CH3COO]- 449.13225 197.3
[M+Na-2H]- 411.09307 188.0
[M]+ 390.11785 189.4
[M]- 390.11895 189.4
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