CID 75480909

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

Structural Information

Molecular Formula
C15H14ClNO2S
SMILES
COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CCC3)N)Cl
InChI
InChI=1S/C15H14ClNO2S/c1-19-11-6-5-8(7-10(11)16)14(18)13-9-3-2-4-12(9)20-15(13)17/h5-7H,2-4,17H2,1H3
InChIKey
UGHPIUZOUSCBJA-UHFFFAOYSA-N
Compound name
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-chloro-4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.04337 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05065 167.8
[M+Na]+ 330.03259 179.3
[M+NH4]+ 325.07719 177.2
[M+K]+ 346.00653 173.9
[M-H]- 306.03609 172.0
[M+Na-2H]- 328.01804 172.5
[M]+ 307.04282 171.3
[M]- 307.04392 171.3
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.