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

3177
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 171.9
[M+Na]+ 321.15734 177.3
[M-H]- 297.16084 179.6
[M+NH4]+ 316.20194 187.1
[M+K]+ 337.13128 174.3
[M+H-H2O]+ 281.16538 162.8
[M+HCOO]- 343.16632 198.1
[M+CH3COO]- 357.18197 211.5
[M+Na-2H]- 319.14279 176.3
[M]+ 298.16757 174.9
[M]- 298.16867 174.9
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