CID 2887357

350996-93-9

Structural Information

Molecular Formula
C12H18N2OS
SMILES
CCCC1CCC2=C(C1)SC(=C2C(=O)N)N
InChI
InChI=1S/C12H18N2OS/c1-2-3-7-4-5-8-9(6-7)16-12(14)10(8)11(13)15/h7H,2-6,14H2,1H3,(H2,13,15)
InChIKey
GRAQHIIJRKEFBF-UHFFFAOYSA-N
Compound name
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

238.11398 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12126 153.3
[M+Na]+ 261.10320 159.9
[M-H]- 237.10670 156.6
[M+NH4]+ 256.14780 173.6
[M+K]+ 277.07714 155.8
[M+H-H2O]+ 221.11124 147.8
[M+HCOO]- 283.11218 169.3
[M+CH3COO]- 297.12783 196.3
[M+Na-2H]- 259.08865 151.8
[M]+ 238.11343 151.3
[M]- 238.11453 151.3
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

No patent data available for this compound.