CID 456943

2-methyl-1,5-diphenyl-3-(pyrrolidin-1-ylmethyl)pyrrole

Structural Information

Molecular Formula
C22H24N2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN4CCCC4
InChI
InChI=1S/C22H24N2/c1-18-20(17-23-14-8-9-15-23)16-22(19-10-4-2-5-11-19)24(18)21-12-6-3-7-13-21/h2-7,10-13,16H,8-9,14-15,17H2,1H3
InChIKey
OIFZBJYSPRFJJO-UHFFFAOYSA-N
Compound name
2-methyl-1,5-diphenyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 177.3
[M+Na]+ 339.18316 183.5
[M-H]- 315.18666 187.3
[M+NH4]+ 334.22776 192.0
[M+K]+ 355.15710 177.1
[M+H-H2O]+ 299.19120 166.8
[M+HCOO]- 361.19214 197.7
[M+CH3COO]- 375.20779 187.9
[M+Na-2H]- 337.16861 175.5
[M]+ 316.19339 174.8
[M]- 316.19449 174.8
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.