CID 216986

37959-39-0

Structural Information

Molecular Formula
C19H16N2
SMILES
CC1=CC=C(C=C1)C2=CN3C=CN(C3=C2)C4=CC=CC=C4
InChI
InChI=1S/C19H16N2/c1-15-7-9-16(10-8-15)17-13-19-20(14-17)11-12-21(19)18-5-3-2-4-6-18/h2-14H,1H3
InChIKey
TTZRBYZCXLJCAC-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-1-phenylpyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.13135 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13863 163.0
[M+Na]+ 295.12057 173.9
[M-H]- 271.12407 172.4
[M+NH4]+ 290.16517 181.2
[M+K]+ 311.09451 167.4
[M+H-H2O]+ 255.12861 154.1
[M+HCOO]- 317.12955 187.2
[M+CH3COO]- 331.14520 176.2
[M+Na-2H]- 293.10602 166.4
[M]+ 272.13080 165.3
[M]- 272.13190 165.3
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.