CID 3047485

Perimidine, 2-(3,4-dimethoxyphenyl)-

Structural Information

Molecular Formula
C19H16N2O2
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2)OC
InChI
InChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21)
InChIKey
YYDAUEXKAFVRJS-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

304.1212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.128476 172.5
[M+Na]+ 327.110418 181.4
[M-H]- 303.113924 176.4
[M+NH4]+ 322.155023 186.2
[M+K]+ 343.084358 175.2
[M+H-H2O]+ 287.118460 162.2
[M+HCOO]- 349.119401 189.1
[M+CH3COO]- 363.135051 182.8
[M+Na-2H]- 325.095866 180.0
[M]+ 304.12065142 174.4
[M]- 304.12174858 174.4
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