CID 2859701

2-(4-ethylphenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C19H18N2
SMILES
CCC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C19H18N2/c1-2-13-9-11-15(12-10-13)19-20-16-7-3-5-14-6-4-8-17(21-19)18(14)16/h3-12,19-21H,2H2,1H3
InChIKey
RHLVJGLNYFNOLK-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.147 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15428 165.9
[M+Na]+ 297.13622 172.9
[M-H]- 273.13972 167.6
[M+NH4]+ 292.18082 180.0
[M+K]+ 313.11016 164.6
[M+H-H2O]+ 257.14426 156.3
[M+HCOO]- 319.14520 179.4
[M+CH3COO]- 333.16085 175.1
[M+Na-2H]- 295.12167 172.7
[M]+ 274.14645 161.5
[M]- 274.14755 161.5
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.