CID 24845671

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

Structural Information

Molecular Formula
C17H17N
SMILES
CC1=NCCC1(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N/c1-14-17(12-13-18-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKey
JGRXALKJOPBJSP-UHFFFAOYSA-N
Compound name
5-methyl-4,4-diphenyl-2,3-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14338 154.6
[M+Na]+ 258.12532 162.2
[M-H]- 234.12882 163.1
[M+NH4]+ 253.16992 174.3
[M+K]+ 274.09926 157.3
[M+H-H2O]+ 218.13336 145.9
[M+HCOO]- 280.13430 177.5
[M+CH3COO]- 294.14995 167.3
[M+Na-2H]- 256.11077 159.8
[M]+ 235.13555 152.6
[M]- 235.13665 152.6
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.