CID 44761

63766-34-7

Structural Information

Molecular Formula
C23H30N2O3S
SMILES
CN(CC1=CC=CC=C1)S(=O)(=O)C2=C3C(CCCC3=C(C=C2)OC)N4CCCC4
InChI
InChI=1S/C23H30N2O3S/c1-24(17-18-9-4-3-5-10-18)29(26,27)22-14-13-21(28-2)19-11-8-12-20(23(19)22)25-15-6-7-16-25/h3-5,9-10,13-14,20H,6-8,11-12,15-17H2,1-2H3
InChIKey
RDOBTIXCDWNFST-UHFFFAOYSA-N
Compound name
N-benzyl-4-methoxy-N-methyl-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.19772 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20500 196.6
[M+Na]+ 437.18694 207.4
[M+NH4]+ 432.23154 204.4
[M+K]+ 453.16088 200.3
[M-H]- 413.19044 202.1
[M+Na-2H]- 435.17239 203.4
[M]+ 414.19717 200.1
[M]- 414.19827 200.1
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

No patent data available for this compound.