CID 3047476

Perimidine, 2-(3,4-dimethoxyphenyl)-1-methyl-

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C20H18N2O2/c1-22-16-9-5-7-13-6-4-8-15(19(13)16)21-20(22)14-10-11-17(23-2)18(12-14)24-3/h4-12H,1-3H3
InChIKey
GFIRRTCTIQJXLV-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1-methylperimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.144116 178.0
[M+Na]+ 341.126058 187.7
[M-H]- 317.129564 183.3
[M+NH4]+ 336.170663 192.0
[M+K]+ 357.099998 182.2
[M+H-H2O]+ 301.134100 167.2
[M+HCOO]- 363.135041 195.7
[M+CH3COO]- 377.150691 188.8
[M+Na-2H]- 339.111506 184.4
[M]+ 318.13629142 182.3
[M]- 318.13738858 182.3
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.