CID 9813589

3-(pyridine-2-carbonyl)-4h,5h,6h-cyclopenta[b]thiophen-2-amine

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C1CC2=C(C1)SC(=C2C(=O)C3=CC=CC=N3)N
InChI
InChI=1S/C13H12N2OS/c14-13-11(8-4-3-6-10(8)17-13)12(16)9-5-1-2-7-15-9/h1-2,5,7H,3-4,6,14H2
InChIKey
FDXVPEXNMYDNHP-UHFFFAOYSA-N
Compound name
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-pyridin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.06703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 154.1
[M+Na]+ 267.05625 163.1
[M-H]- 243.05975 160.9
[M+NH4]+ 262.10085 175.1
[M+K]+ 283.03019 159.0
[M+H-H2O]+ 227.06429 148.1
[M+HCOO]- 289.06523 172.5
[M+CH3COO]- 303.08088 167.0
[M+Na-2H]- 265.04170 153.8
[M]+ 244.06648 154.6
[M]- 244.06758 154.6
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

patents stripe