CID 757553

2-amino-6-(propan-2-yl)-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carboxamide

Structural Information

Molecular Formula
C11H17N3OS
SMILES
CC(C)N1CCC2=C(C1)SC(=C2C(=O)N)N
InChI
InChI=1S/C11H17N3OS/c1-6(2)14-4-3-7-8(5-14)16-11(13)9(7)10(12)15/h6H,3-5,13H2,1-2H3,(H2,12,15)
InChIKey
WTIZIGNDTJXLFO-UHFFFAOYSA-N
Compound name
2-amino-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

239.10924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11652 153.5
[M+Na]+ 262.09846 160.2
[M-H]- 238.10196 155.7
[M+NH4]+ 257.14306 172.4
[M+K]+ 278.07240 156.9
[M+H-H2O]+ 222.10650 147.5
[M+HCOO]- 284.10744 167.6
[M+CH3COO]- 298.12309 196.9
[M+Na-2H]- 260.08391 151.4
[M]+ 239.10869 151.1
[M]- 239.10979 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe