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
4
Annotation Hits

19
References

139
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 163.1
[M+Na]+ 286.15662 170.8
[M-H]- 262.16012 171.6
[M+NH4]+ 281.20122 182.0
[M+K]+ 302.13056 165.4
[M+H-H2O]+ 246.16466 154.4
[M+HCOO]- 308.16560 185.4
[M+CH3COO]- 322.18125 175.4
[M+Na-2H]- 284.14207 166.7
[M]+ 263.16685 162.2
[M]- 263.16795 162.2
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