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]+ 319.14412 178.0
[M+Na]+ 341.12606 187.7
[M-H]- 317.12956 183.3
[M+NH4]+ 336.17066 192.0
[M+K]+ 357.10000 182.2
[M+H-H2O]+ 301.13410 167.2
[M+HCOO]- 363.13504 195.7
[M+CH3COO]- 377.15069 188.8
[M+Na-2H]- 339.11151 184.4
[M]+ 318.13629 182.3
[M]- 318.13739 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.