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

154
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.