CID 10110164

2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (eddp)

Structural Information

Molecular Formula
C20H24N
SMILES
CCC1=[N+](C(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H24N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4,15H2,1-3H3/q+1
InChIKey
SCIYBRNSSXZMKG-UHFFFAOYSA-N
Compound name
5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

10
Patents

278.1909 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19818 167.3
[M+Na]+ 301.18012 185.2
[M+NH4]+ 296.22472 179.7
[M+K]+ 317.15406 175.8
[M-H]- 277.18362 176.0
[M+Na-2H]- 299.16557 180.2
[M]+ 278.19035 173.2
[M]- 278.19145 173.2
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

patents stripe