CID 472079

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

Structural Information

Molecular Formula
C21H28ClN3O2
SMILES
CC1=C(C(=C(N1)C2=CC=C(C=C2)Cl)CN3CCOCC3)CN4CCOCC4
InChI
InChI=1S/C21H28ClN3O2/c1-16-19(14-24-6-10-26-11-7-24)20(15-25-8-12-27-13-9-25)21(23-16)17-2-4-18(22)5-3-17/h2-5,23H,6-15H2,1H3
InChIKey
PXSPTWSJWHSADL-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-5-methyl-4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.187 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19428 198.0
[M+Na]+ 412.17622 201.9
[M-H]- 388.17972 204.6
[M+NH4]+ 407.22082 203.6
[M+K]+ 428.15016 196.6
[M+H-H2O]+ 372.18426 186.2
[M+HCOO]- 434.18520 202.7
[M+CH3COO]- 448.20085 204.5
[M+Na-2H]- 410.16167 194.3
[M]+ 389.18645 193.7
[M]- 389.18755 193.7
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.