CID 137964185

Tert-butyl n-methyl-n-{thieno[3,2-b]pyridin-7-yl}carbamate

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 160.9
[M+Na]+ 287.08248 169.9
[M-H]- 263.08598 166.4
[M+NH4]+ 282.12708 180.5
[M+K]+ 303.05642 168.2
[M+H-H2O]+ 247.09052 154.6
[M+HCOO]- 309.09146 179.4
[M+CH3COO]- 323.10711 198.6
[M+Na-2H]- 285.06793 164.6
[M]+ 264.09271 167.9
[M]- 264.09381 167.9
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.