CID 472072

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

Structural Information

Molecular Formula
C23H33N3O2
SMILES
CC1=C(C(=C(N1CC2=CC=CC=C2)C)CN3CCOCC3)CN4CCOCC4
InChI
InChI=1S/C23H33N3O2/c1-19-22(17-24-8-12-27-13-9-24)23(18-25-10-14-28-15-11-25)20(2)26(19)16-21-6-4-3-5-7-21/h3-7H,8-18H2,1-2H3
InChIKey
XUNBNKVDGLWCEV-UHFFFAOYSA-N
Compound name
4-[[1-benzyl-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

383.25726 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 198.9
[M+Na]+ 406.24648 201.7
[M-H]- 382.24998 206.8
[M+NH4]+ 401.29108 204.6
[M+K]+ 422.22042 198.1
[M+H-H2O]+ 366.25452 186.5
[M+HCOO]- 428.25546 209.2
[M+CH3COO]- 442.27111 205.7
[M+Na-2H]- 404.23193 195.2
[M]+ 383.25671 194.8
[M]- 383.25781 194.8
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.