CID 122272

Bms 182874

Structural Information

Molecular Formula
C17H19N3O3S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
InChIKey
MJRGSRRZKSJHOE-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

74
References

283
Patents

345.11472 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.121996 180.4
[M+Na]+ 368.103938 191.0
[M-H]- 344.107444 190.3
[M+NH4]+ 363.148543 195.1
[M+K]+ 384.077878 188.2
[M+H-H2O]+ 328.111980 172.9
[M+HCOO]- 390.112921 200.4
[M+CH3COO]- 404.128571 217.8
[M+Na-2H]- 366.089386 185.1
[M]+ 345.11417142 188.7
[M]- 345.11526858 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe