CID 472067

1-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazine

Structural Information

Molecular Formula
C18H31N3
SMILES
CC1=CC(=C(N1C2CCCCC2)C)CN3CCN(CC3)C
InChI
InChI=1S/C18H31N3/c1-15-13-17(14-20-11-9-19(3)10-12-20)16(2)21(15)18-7-5-4-6-8-18/h13,18H,4-12,14H2,1-3H3
InChIKey
HUKNYFSODIMJBI-UHFFFAOYSA-N
Compound name
1-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.2518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.25908 176.4
[M+Na]+ 312.24102 180.1
[M-H]- 288.24452 180.5
[M+NH4]+ 307.28562 189.5
[M+K]+ 328.21496 175.4
[M+H-H2O]+ 272.24906 165.7
[M+HCOO]- 334.25000 188.8
[M+CH3COO]- 348.26565 184.8
[M+Na-2H]- 310.22647 172.5
[M]+ 289.25125 169.5
[M]- 289.25235 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.