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 199.3
[M+Na]+ 437.18694 203.1
[M-H]- 413.19044 208.5
[M+NH4]+ 432.23154 211.4
[M+K]+ 453.16088 198.9
[M+H-H2O]+ 397.19498 190.3
[M+HCOO]- 459.19592 211.5
[M+CH3COO]- 473.21157 226.7
[M+Na-2H]- 435.17239 198.5
[M]+ 414.19717 199.8
[M]- 414.19827 199.8
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

No patent data available for this compound.