CID 5399778

3-(1h-benzimidazol-1-yl)-n'-(2-ethoxybenzylidene)propanohydrazide

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 178.7
[M+Na]+ 359.14785 186.0
[M-H]- 335.15135 185.1
[M+NH4]+ 354.19245 192.3
[M+K]+ 375.12179 181.1
[M+H-H2O]+ 319.15589 168.2
[M+HCOO]- 381.15683 204.1
[M+CH3COO]- 395.17248 216.2
[M+Na-2H]- 357.13330 184.6
[M]+ 336.15808 183.3
[M]- 336.15918 183.3
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.