CID 308262

Nsc209035

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CCC(C1=CC=CC=C1)C(=O)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H24N2O5/c1-5-15(13-9-7-6-8-10-13)20(24)22-21-19(23)14-11-16(25-2)18(27-4)17(12-14)26-3/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKey
LHZNWNGPOBMHCK-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N'-(2-phenylbutanoyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

372.16852 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 189.0
[M+Na]+ 395.15774 193.1
[M-H]- 371.16124 195.4
[M+NH4]+ 390.20234 200.2
[M+K]+ 411.13168 191.8
[M+H-H2O]+ 355.16578 179.6
[M+HCOO]- 417.16672 211.7
[M+CH3COO]- 431.18237 223.2
[M+Na-2H]- 393.14319 189.1
[M]+ 372.16797 193.5
[M]- 372.16907 193.5
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

No patent data available for this compound.