CID 1742045

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

Structural Information

Molecular Formula
C20H20N2O
SMILES
CCCOC1=CC=C(C=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C20H20N2O/c1-2-13-23-16-11-9-15(10-12-16)20-21-17-7-3-5-14-6-4-8-18(22-20)19(14)17/h3-12,20-22H,2,13H2,1H3
InChIKey
MMRRPWNQAXAJLW-UHFFFAOYSA-N
Compound name
2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

304.15756 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 173.6
[M+Na]+ 327.14678 179.9
[M-H]- 303.15028 175.1
[M+NH4]+ 322.19138 186.3
[M+K]+ 343.12072 172.1
[M+H-H2O]+ 287.15482 163.5
[M+HCOO]- 349.15576 186.9
[M+CH3COO]- 363.17141 182.2
[M+Na-2H]- 325.13223 179.9
[M]+ 304.15701 170.8
[M]- 304.15811 170.8
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