CID 5399778

452089-76-8

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CCOC1=CC=CC=C1/C=N\NC(=O)CCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C19H20N4O2/c1-2-25-18-10-6-3-7-15(18)13-21-22-19(24)11-12-23-14-20-16-8-4-5-9-17(16)23/h3-10,13-14H,2,11-12H2,1H3,(H,22,24)/b21-13-
InChIKey
KNVLBHGKHLWUDO-BKUYFWCQSA-N
Compound name
3-(benzimidazol-1-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 179.9
[M+Na]+ 359.14785 192.7
[M+NH4]+ 354.19245 186.5
[M+K]+ 375.12179 186.5
[M-H]- 335.15135 184.0
[M+Na-2H]- 357.13330 187.8
[M]+ 336.15808 182.7
[M]- 336.15918 182.7
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.