CID 472066

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

Structural Information

Molecular Formula
C19H27N3
SMILES
CC1=CC(=C(N1CC2=CC=CC=C2)C)CN3CCN(CC3)C
InChI
InChI=1S/C19H27N3/c1-16-13-19(15-21-11-9-20(3)10-12-21)17(2)22(16)14-18-7-5-4-6-8-18/h4-8,13H,9-12,14-15H2,1-3H3
InChIKey
IMTJJCAIMXQUHV-UHFFFAOYSA-N
Compound name
1-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.2205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.22778 175.7
[M+Na]+ 320.20972 182.1
[M-H]- 296.21322 180.8
[M+NH4]+ 315.25432 188.7
[M+K]+ 336.18366 176.4
[M+H-H2O]+ 280.21776 164.9
[M+HCOO]- 342.21870 192.1
[M+CH3COO]- 356.23435 185.4
[M+Na-2H]- 318.19517 174.5
[M]+ 297.21995 173.4
[M]- 297.22105 173.4
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.