CID 3075914

129303-30-6

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
C1C2C(NC3=CC=CC=C3N2)N(S1(=O)=O)CC4=CC=CC=C4
InChI
InChI=1S/C16H17N3O2S/c20-22(21)11-15-16(18-14-9-5-4-8-13(14)17-15)19(22)10-12-6-2-1-3-7-12/h1-9,15-18H,10-11H2
InChIKey
NHKBGLRGUGDKOG-UHFFFAOYSA-N
Compound name
1-benzyl-3a,4,9,9a-tetrahydro-3H-[1,2]thiazolo[4,3-b]quinoxaline 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 170.3
[M+Na]+ 338.09338 183.2
[M+NH4]+ 333.13798 179.6
[M+K]+ 354.06732 173.9
[M-H]- 314.09688 172.5
[M+Na-2H]- 336.07883 176.5
[M]+ 315.10361 173.3
[M]- 315.10471 173.3
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.