CID 154577734

2418682-86-5

Structural Information

Molecular Formula
C14H21ClN2OS
SMILES
C1CC(CCC1CN)NC(=O)CCC2=CC=C(S2)Cl
InChI
InChI=1S/C14H21ClN2OS/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18)
InChIKey
OCKDCFXHHNYYFM-UHFFFAOYSA-N
Compound name
N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10632 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11360 168.8
[M+Na]+ 323.09554 177.2
[M+NH4]+ 318.14014 177.3
[M+K]+ 339.06948 170.1
[M-H]- 299.09904 172.8
[M+Na-2H]- 321.08099 172.9
[M]+ 300.10577 171.5
[M]- 300.10687 171.5
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.