CID 4405517

3-(((5-(dimethylamino)-1-naphthyl)sulphonyl)aminopropyl)trimethylammonium iodide

Structural Information

Molecular Formula
C18H28N3O2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C18H28N3O2S/c1-20(2)17-11-6-10-16-15(17)9-7-12-18(16)24(22,23)19-13-8-14-21(3,4)5/h6-7,9-12,19H,8,13-14H2,1-5H3/q+1
InChIKey
YBUFSKBUYUDVBJ-UHFFFAOYSA-N
Compound name
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19022 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19750 178.1
[M+Na]+ 373.17944 183.3
[M-H]- 349.18294 184.8
[M+NH4]+ 368.22404 193.2
[M+K]+ 389.15338 174.9
[M+H-H2O]+ 333.18748 173.1
[M+HCOO]- 395.18842 196.2
[M+CH3COO]- 409.20407 218.5
[M+Na-2H]- 371.16489 186.9
[M]+ 350.18967 182.1
[M]- 350.19077 182.1
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.