CID 45054554

N'-(3-(benzyloxy)benzylidene)-4-butoxybenzohydrazide

Structural Information

Molecular Formula
C25H26N2O3
SMILES
CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C25H26N2O3/c1-2-3-16-29-23-14-12-22(13-15-23)25(28)27-26-18-21-10-7-11-24(17-21)30-19-20-8-5-4-6-9-20/h4-15,17-18H,2-3,16,19H2,1H3,(H,27,28)/b26-18+
InChIKey
FWSFWIUFPHQBJI-NLRVBDNBSA-N
Compound name
4-butoxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.201616 199.4
[M+Na]+ 425.183558 202.8
[M-H]- 401.187064 209.1
[M+NH4]+ 420.228163 209.2
[M+K]+ 441.157498 197.9
[M+H-H2O]+ 385.191600 187.8
[M+HCOO]- 447.192541 224.6
[M+CH3COO]- 461.208191 229.5
[M+Na-2H]- 423.169006 202.6
[M]+ 402.19379142 202.5
[M]- 402.19488858 202.5
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.