CID 24845171

91306-93-3

Structural Information

Molecular Formula
C23H19N
SMILES
CC1=CC=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H19N/c1-18-12-17-23(24(18)22-10-6-3-7-11-22)21-15-13-20(14-16-21)19-8-4-2-5-9-19/h2-17H,1H3
InChIKey
OJBUWUQRPLUPSI-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-5-(4-phenylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15176 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15904 175.0
[M+Na]+ 332.14098 183.1
[M-H]- 308.14448 186.6
[M+NH4]+ 327.18558 189.5
[M+K]+ 348.11492 175.6
[M+H-H2O]+ 292.14902 164.7
[M+HCOO]- 354.14996 198.2
[M+CH3COO]- 368.16561 186.6
[M+Na-2H]- 330.12643 177.7
[M]+ 309.15121 174.1
[M]- 309.15231 174.1
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.