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]+ 373.175796 189.0
[M+Na]+ 395.157738 193.1
[M-H]- 371.161244 195.4
[M+NH4]+ 390.202343 200.2
[M+K]+ 411.131678 191.8
[M+H-H2O]+ 355.165780 179.6
[M+HCOO]- 417.166721 211.7
[M+CH3COO]- 431.182371 223.2
[M+Na-2H]- 393.143186 189.1
[M]+ 372.16797142 193.5
[M]- 372.16906858 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.