CID 1990994

Mls000055728

Structural Information

Molecular Formula
C18H16N2O
SMILES
C/C(=C\C1=CC=CO1)/C2NC3=CC=CC4=C3C(=CC=C4)N2
InChI
InChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3/b12-11+
InChIKey
JGBDGHPTJYSDRP-VAWYXSNFSA-N
Compound name
2-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

276.12625 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 164.0
[M+Na]+ 299.11547 179.0
[M+NH4]+ 294.16007 172.8
[M+K]+ 315.08941 172.7
[M-H]- 275.11897 168.5
[M+Na-2H]- 297.10092 170.0
[M]+ 276.12570 167.5
[M]- 276.12680 167.5
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