CID 668464

2-(2,5-dimethoxy-phenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=CC(=C(C=C1)OC)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C19H18N2O2/c1-22-13-9-10-17(23-2)14(11-13)19-20-15-7-3-5-12-6-4-8-16(21-19)18(12)15/h3-11,19-21H,1-2H3
InChIKey
KVPHHQPWYLJMIZ-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.