CID 472080

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

Structural Information

Molecular Formula
C27H38ClN3O2
SMILES
CC1=C(C(=C(N1C2CCCCC2)C3=CC=C(C=C3)Cl)CN4CCOCC4)CN5CCOCC5
InChI
InChI=1S/C27H38ClN3O2/c1-21-25(19-29-11-15-32-16-12-29)26(20-30-13-17-33-18-14-30)27(22-7-9-23(28)10-8-22)31(21)24-5-3-2-4-6-24/h7-10,24H,2-6,11-20H2,1H3
InChIKey
MSLAAXZBCMYCBT-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-1-cyclohexyl-5-methyl-4-(morpholin-4-ylmethyl)pyrrol-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.26526 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.27254 222.4
[M+Na]+ 494.25448 223.0
[M-H]- 470.25798 231.7
[M+NH4]+ 489.29908 224.5
[M+K]+ 510.22842 217.6
[M+H-H2O]+ 454.26252 208.1
[M+HCOO]- 516.26346 223.3
[M+CH3COO]- 530.27911 226.3
[M+Na-2H]- 492.23993 213.8
[M]+ 471.26471 215.2
[M]- 471.26581 215.2
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.