CID 155766

6,7-diphenyl-2,3-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula
C19H17N
SMILES
C1CC2=C(C(=CN2C1)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H17N/c1-3-8-15(9-4-1)17-14-20-13-7-12-18(20)19(17)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
InChIKey
KTNZDKBUNJCAGR-UHFFFAOYSA-N
Compound name
6,7-diphenyl-2,3-dihydro-1H-pyrrolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

259.1361 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14338 160.5
[M+Na]+ 282.12532 168.4
[M-H]- 258.12882 170.1
[M+NH4]+ 277.16992 180.1
[M+K]+ 298.09926 162.5
[M+H-H2O]+ 242.13336 152.3
[M+HCOO]- 304.13430 183.3
[M+CH3COO]- 318.14995 173.1
[M+Na-2H]- 280.11077 162.8
[M]+ 259.13555 159.0
[M]- 259.13665 159.0
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