CID 9879368

2-ethyl-5-methyl-3,3-diphenyl-1-pyrroline

Structural Information

Molecular Formula
C19H21N
SMILES
CCC1=NC(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3
InChIKey
UPZKJIHNKKJIKX-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyl-4,4-diphenyl-2,3-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

135
Patents

263.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 164.4
[M+Na]+ 286.15662 180.2
[M+NH4]+ 281.20122 175.8
[M+K]+ 302.13056 170.2
[M-H]- 262.16012 171.4
[M+Na-2H]- 284.14207 176.8
[M]+ 263.16685 169.1
[M]- 263.16795 169.1
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