CID 472069

4-{[2,5-dimethyl-1-benzylpyrrol-3-yl]methyl}morpholine

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC1=CC(=C(N1CC2=CC=CC=C2)C)CN3CCOCC3
InChI
InChI=1S/C18H24N2O/c1-15-12-18(14-19-8-10-21-11-9-19)16(2)20(15)13-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3
InChIKey
GBTWABYUNAGOPR-UHFFFAOYSA-N
Compound name
4-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.18887 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 169.8
[M+Na]+ 307.17809 175.8
[M-H]- 283.18159 176.8
[M+NH4]+ 302.22269 183.2
[M+K]+ 323.15203 172.1
[M+H-H2O]+ 267.18613 160.1
[M+HCOO]- 329.18707 187.3
[M+CH3COO]- 343.20272 180.4
[M+Na-2H]- 305.16354 170.6
[M]+ 284.18832 168.3
[M]- 284.18942 168.3
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.