CID 3061276

Brn 4503841

Structural Information

Molecular Formula
C13H17N3O2S
SMILES
CC(C)(C)OC(=O)NNC1=NC2=CC=CC=C2SC1
InChI
InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)16-15-11-8-19-10-7-5-4-6-9(10)14-11/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKey
AHPJYJXQVJVKKA-UHFFFAOYSA-N
Compound name
tert-butyl N-(2H-1,4-benzothiazin-3-ylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11144 162.5
[M+Na]+ 302.09338 172.1
[M+NH4]+ 297.13798 170.0
[M+K]+ 318.06732 165.0
[M-H]- 278.09688 164.4
[M+Na-2H]- 300.07883 167.6
[M]+ 279.10361 164.7
[M]- 279.10471 164.7
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.