CID 727037

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

Structural Information

Molecular Formula
C18H16N2O
SMILES
COC1=CC=CC=C1C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H16N2O/c1-21-16-11-3-2-8-13(16)18-19-14-9-4-6-12-7-5-10-15(20-18)17(12)14/h2-11,18-20H,1H3
InChIKey
RKWAQGJGOUNZHN-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

276.12625 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 164.6
[M+Na]+ 299.115468 171.9
[M-H]- 275.118974 166.5
[M+NH4]+ 294.160073 178.5
[M+K]+ 315.089408 164.5
[M+H-H2O]+ 259.123510 155.0
[M+HCOO]- 321.124451 178.7
[M+CH3COO]- 335.140101 174.1
[M+Na-2H]- 297.100916 172.1
[M]+ 276.12570142 161.3
[M]- 276.12679858 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