CID 243117

1,1'-(1,4-tetramethylene)bis(2,5-dimethylpyrrole)

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1=CC=C(N1CCCCN2C(=CC=C2C)C)C
InChI
InChI=1S/C16H24N2/c1-13-7-8-14(2)17(13)11-5-6-12-18-15(3)9-10-16(18)4/h7-10H,5-6,11-12H2,1-4H3
InChIKey
OFTHAYNMJIBXNA-UHFFFAOYSA-N
Compound name
1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-2,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 158.5
[M+Na]+ 267.183168 168.9
[M-H]- 243.186674 163.7
[M+NH4]+ 262.227773 178.0
[M+K]+ 283.157108 164.7
[M+H-H2O]+ 227.191210 151.0
[M+HCOO]- 289.192151 182.6
[M+CH3COO]- 303.207801 197.9
[M+Na-2H]- 265.168616 158.5
[M]+ 244.19340142 164.0
[M]- 244.19449858 164.0
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.