CID 23696

Brn 2479378

Structural Information

Molecular Formula
C19H23NO2S
SMILES
CN(C)CCS(=O)(=O)C1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C19H23NO2S/c1-20(2)13-14-23(21,22)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3
InChIKey
FBPBGTCESMMDQL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14496 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15224 176.2
[M+Na]+ 352.13418 181.2
[M-H]- 328.13768 183.2
[M+NH4]+ 347.17878 192.0
[M+K]+ 368.10812 181.8
[M+H-H2O]+ 312.14222 170.9
[M+HCOO]- 374.14316 190.7
[M+CH3COO]- 388.15881 213.7
[M+Na-2H]- 350.11963 180.6
[M]+ 329.14441 176.9
[M]- 329.14551 176.9
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.