CID 4460477

102755-56-6

Structural Information

Molecular Formula
C24H18N2
SMILES
CC1=CC=C(C=C1)N2C=C(C(=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18N2/c1-18-12-14-21(15-13-18)26-17-22(19-8-4-2-5-9-19)24(23(26)16-25)20-10-6-3-7-11-20/h2-15,17H,1H3
InChIKey
HXIMTYHPFKFNBD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3,4-diphenylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.147 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.154276 188.3
[M+Na]+ 357.136218 199.5
[M-H]- 333.139724 196.7
[M+NH4]+ 352.180823 200.0
[M+K]+ 373.110158 188.4
[M+H-H2O]+ 317.144260 171.3
[M+HCOO]- 379.145201 206.9
[M+CH3COO]- 393.160851 197.4
[M+Na-2H]- 355.121666 188.5
[M]+ 334.14645142 182.5
[M]- 334.14754858 182.5
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