CID 853919

479349-58-1

Structural Information

Molecular Formula
C19H19N2
SMILES
CC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCC3
InChI
InChI=1S/C19H19N2/c1-15-9-11-16(12-10-15)18-14-20-13-5-8-19(20)21(18)17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3/q+1
InChIKey
QPAUSEFRWOAHNY-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

275.15482 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16210 168.7
[M+Na]+ 298.14404 177.0
[M-H]- 274.14754 177.5
[M+NH4]+ 293.18864 186.2
[M+K]+ 314.11798 165.7
[M+H-H2O]+ 258.15208 162.1
[M+HCOO]- 320.15302 189.6
[M+CH3COO]- 334.16867 180.4
[M+Na-2H]- 296.12949 172.3
[M]+ 275.15427 166.8
[M]- 275.15537 166.8
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

No patent data available for this compound.