CID 7588

Phenacaine

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCC)C
InChI
InChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)
InChIKey
QXDAEKSDNVPFJG-UHFFFAOYSA-N
Compound name
N,N'-bis(4-ethoxyphenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3091
Patents

298.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 173.0
[M+Na]+ 321.15734 185.6
[M+NH4]+ 316.20194 180.7
[M+K]+ 337.13128 177.4
[M-H]- 297.16084 178.6
[M+Na-2H]- 319.14279 181.7
[M]+ 298.16757 176.3
[M]- 298.16867 176.3
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