CID 472073

4-[[1-hexyl-2,5-dimethyl-4-(morpholinomethyl)pyrrol-3-yl]methyl]morpholine

Structural Information

Molecular Formula
C22H39N3O2
SMILES
CCCCCCN1C(=C(C(=C1C)CN2CCOCC2)CN3CCOCC3)C
InChI
InChI=1S/C22H39N3O2/c1-4-5-6-7-8-25-19(2)21(17-23-9-13-26-14-10-23)22(20(25)3)18-24-11-15-27-16-12-24/h4-18H2,1-3H3
InChIKey
BKGDQYUKLTVMLX-UHFFFAOYSA-N
Compound name
4-[[1-hexyl-2,5-dimethyl-4-(morpholin-4-ylmethyl)pyrrol-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.30423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.31151 201.4
[M+Na]+ 400.29345 203.4
[M-H]- 376.29695 205.9
[M+NH4]+ 395.33805 208.1
[M+K]+ 416.26739 200.6
[M+H-H2O]+ 360.30149 190.1
[M+HCOO]- 422.30243 210.9
[M+CH3COO]- 436.31808 220.6
[M+Na-2H]- 398.27890 196.4
[M]+ 377.30368 199.8
[M]- 377.30478 199.8
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.