CID 171050

51501-27-0

Structural Information

Molecular Formula
C24H40N2O2S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC2=C1NC=C2
InChI
InChI=1S/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29(27,28)26-23-18-16-17-22-19-20-25-24(22)23/h16-20,25-26H,2-15,21H2,1H3
InChIKey
HLHGMCHARQAMND-UHFFFAOYSA-N
Compound name
N-(1H-indol-7-yl)hexadecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

420.28104 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.28832 207.1
[M+Na]+ 443.27026 210.8
[M-H]- 419.27376 207.1
[M+NH4]+ 438.31486 218.6
[M+K]+ 459.24420 203.1
[M+H-H2O]+ 403.27830 198.8
[M+HCOO]- 465.27924 221.0
[M+CH3COO]- 479.29489 225.8
[M+Na-2H]- 441.25571 206.9
[M]+ 420.28049 214.8
[M]- 420.28159 214.8
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