CID 137964185

2225142-05-0

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CC(C)(C)OC(=O)N(C)C1=C2C(=NC=C1)C=CS2
InChI
InChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)15(4)10-5-7-14-9-6-8-18-11(9)10/h5-8H,1-4H3
InChIKey
VCVBWAWZELSKRW-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-thieno[3,2-b]pyridin-7-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 159.9
[M+Na]+ 287.08248 170.8
[M+NH4]+ 282.12708 167.9
[M+K]+ 303.05642 165.5
[M-H]- 263.08598 161.4
[M+Na-2H]- 285.06793 165.2
[M]+ 264.09271 162.3
[M]- 264.09381 162.3
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.