CID 260561

1,2-bis(phenyl)-5-methylpyrrole

Structural Information

Molecular Formula
C17H15N
SMILES
CC1=CC=C(N1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15N/c1-14-12-13-17(15-8-4-2-5-9-15)18(14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKey
RLDRAUJFJHRQAE-UHFFFAOYSA-N
Compound name
2-methyl-1,5-diphenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

233.12045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12773 152.7
[M+Na]+ 256.10967 161.3
[M-H]- 232.11317 161.5
[M+NH4]+ 251.15427 170.8
[M+K]+ 272.08361 155.9
[M+H-H2O]+ 216.11771 144.2
[M+HCOO]- 278.11865 177.0
[M+CH3COO]- 292.13430 165.9
[M+Na-2H]- 254.09512 157.4
[M]+ 233.11990 152.3
[M]- 233.12100 152.3
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