CID 472076

4-[[5-(4-chlorophenyl)-1-hexyl-2-methyl-pyrrol-3-yl]methyl]morpholine

Structural Information

Molecular Formula
C22H31ClN2O
SMILES
CCCCCCN1C(=C(C=C1C2=CC=C(C=C2)Cl)CN3CCOCC3)C
InChI
InChI=1S/C22H31ClN2O/c1-3-4-5-6-11-25-18(2)20(17-24-12-14-26-15-13-24)16-22(25)19-7-9-21(23)10-8-19/h7-10,16H,3-6,11-15,17H2,1-2H3
InChIKey
WLDLQAHARSAJTD-UHFFFAOYSA-N
Compound name
4-[[5-(4-chlorophenyl)-1-hexyl-2-methylpyrrol-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.2125 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21978 196.3
[M+Na]+ 397.20172 202.0
[M-H]- 373.20522 202.5
[M+NH4]+ 392.24632 207.0
[M+K]+ 413.17566 195.8
[M+H-H2O]+ 357.20976 185.9
[M+HCOO]- 419.21070 207.5
[M+CH3COO]- 433.22635 218.0
[M+Na-2H]- 395.18717 193.4
[M]+ 374.21195 198.5
[M]- 374.21305 198.5
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.