CID 2437660

554442-53-4

Structural Information

Molecular Formula
C17H20ClNO2
SMILES
CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CCl
InChI
InChI=1S/C17H20ClNO2/c1-12-10-16(17(20)11-18)13(2)19(12)9-8-14-4-6-15(21-3)7-5-14/h4-7,10H,8-9,11H2,1-3H3
InChIKey
LIURFFVNYKATQA-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12554 171.1
[M+Na]+ 328.10748 185.2
[M+NH4]+ 323.15208 178.8
[M+K]+ 344.08142 179.0
[M-H]- 304.11098 174.1
[M+Na-2H]- 326.09293 177.4
[M]+ 305.11771 174.2
[M]- 305.11881 174.2
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.