CID 193696

33423-98-2

Structural Information

Molecular Formula
C17H26N3O2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C17H26N3O2S/c1-19(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)18-12-13-20(3,4)5/h6-11,18H,12-13H2,1-5H3/q+1
InChIKey
YDXJGZOGFFBWLX-UHFFFAOYSA-N
Compound name
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

425
Patents

336.17456 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18184 173.6
[M+Na]+ 359.16378 179.2
[M-H]- 335.16728 180.4
[M+NH4]+ 354.20838 189.2
[M+K]+ 375.13772 171.0
[M+H-H2O]+ 319.17182 168.7
[M+HCOO]- 381.17276 192.0
[M+CH3COO]- 395.18841 215.5
[M+Na-2H]- 357.14923 182.8
[M]+ 336.17401 177.2
[M]- 336.17511 177.2
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

patents stripe