CID 122360938

1-benzyl-6-tosyl-1,6-diazaspiro[3.3]heptan-3-amine

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C2)C(CN3CC4=CC=CC=C4)N
InChI
InChI=1S/C19H23N3O2S/c1-15-7-9-17(10-8-15)25(23,24)22-13-19(14-22)18(20)12-21(19)11-16-5-3-2-4-6-16/h2-10,18H,11-14,20H2,1H3
InChIKey
SMOIAYPLVUKPDW-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-methylphenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1511 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 175.6
[M+Na]+ 380.14032 178.7
[M+NH4]+ 375.18492 176.0
[M+K]+ 396.11426 173.6
[M-H]- 356.14382 174.8
[M+Na-2H]- 378.12577 179.6
[M]+ 357.15055 174.2
[M]- 357.15165 174.2
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.