CID 256655

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

Structural Information

Molecular Formula
C18H16N2O
SMILES
COC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H16N2O/c1-21-14-10-8-13(9-11-14)18-19-15-6-2-4-12-5-3-7-16(20-18)17(12)15/h2-11,18-20H,1H3
InChIKey
IRVXEGFUIMYAIR-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

276.12625 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 164.6
[M+Na]+ 299.11547 171.9
[M-H]- 275.11897 166.5
[M+NH4]+ 294.16007 178.5
[M+K]+ 315.08941 164.5
[M+H-H2O]+ 259.12351 155.0
[M+HCOO]- 321.12445 178.7
[M+CH3COO]- 335.14010 174.1
[M+Na-2H]- 297.10092 172.1
[M]+ 276.12570 161.3
[M]- 276.12680 161.3
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