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]+ 317.201216 177.3
[M+Na]+ 339.183158 183.5
[M-H]- 315.186664 187.3
[M+NH4]+ 334.227763 192.0
[M+K]+ 355.157098 177.1
[M+H-H2O]+ 299.191200 166.8
[M+HCOO]- 361.192141 197.7
[M+CH3COO]- 375.207791 187.9
[M+Na-2H]- 337.168606 175.5
[M]+ 316.19339142 174.8
[M]- 316.19448858 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.