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]+ 265.100536 160.9
[M+Na]+ 287.082478 169.9
[M-H]- 263.085984 166.4
[M+NH4]+ 282.127083 180.5
[M+K]+ 303.056418 168.2
[M+H-H2O]+ 247.090520 154.6
[M+HCOO]- 309.091461 179.4
[M+CH3COO]- 323.107111 198.6
[M+Na-2H]- 285.067926 164.6
[M]+ 264.09271142 167.9
[M]- 264.09380858 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.