CID 3043110

Brn 0548524

Structural Information

Molecular Formula
C17H26N2O2S
SMILES
CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C17H26N2O2S/c1-22(20,21)19-11-9-18(10-12-19)14-15-7-8-16-5-3-2-4-6-17(16)13-15/h7-8,13H,2-6,9-12,14H2,1H3
InChIKey
SRSZRSAICCNXJU-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1715 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17878 177.6
[M+Na]+ 345.16072 186.6
[M+NH4]+ 340.20532 184.5
[M+K]+ 361.13466 179.5
[M-H]- 321.16422 179.7
[M+Na-2H]- 343.14617 181.8
[M]+ 322.17095 179.9
[M]- 322.17205 179.9
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.