CID 256657

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

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=C(C=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)OC
InChI
InChI=1S/C19H18N2O2/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/h3-11,19-21H,1-2H3
InChIKey
CRPNVHCEGIQOLN-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.2
[M+Na]+ 329.12606 180.7
[M-H]- 305.12956 175.3
[M+NH4]+ 324.17066 186.1
[M+K]+ 345.10000 173.9
[M+H-H2O]+ 289.13410 163.4
[M+HCOO]- 351.13504 187.0
[M+CH3COO]- 365.15069 182.4
[M+Na-2H]- 327.11151 179.4
[M]+ 306.13629 172.0
[M]- 306.13739 172.0
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