CID 104403

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

Structural Information

Molecular Formula
C18H19N
SMILES
CCC1=NCCC1(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N/c1-2-17-18(13-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKey
ZSZDLICNXAEVQW-UHFFFAOYSA-N
Compound name
5-ethyl-4,4-diphenyl-2,3-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

5
Patents

249.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 159.1
[M+Na]+ 272.140968 166.3
[M-H]- 248.144474 167.4
[M+NH4]+ 267.185573 178.2
[M+K]+ 288.114908 161.1
[M+H-H2O]+ 232.149010 150.3
[M+HCOO]- 294.149951 181.7
[M+CH3COO]- 308.165601 171.4
[M+Na-2H]- 270.126416 163.8
[M]+ 249.15120142 157.4
[M]- 249.15229858 157.4
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