CID 9639497

N-(2-(2-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C18H17N3O5
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C18H17N3O5/c1-24-14-5-3-13(4-6-14)18(23)19-10-17(22)21-20-9-12-2-7-15-16(8-12)26-11-25-15/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)/b20-9+
InChIKey
VFATZMNKVASGAJ-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.11682 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.124096 181.9
[M+Na]+ 378.106038 186.6
[M-H]- 354.109544 191.8
[M+NH4]+ 373.150643 193.9
[M+K]+ 394.079978 186.6
[M+H-H2O]+ 338.114080 173.2
[M+HCOO]- 400.115021 206.1
[M+CH3COO]- 414.130671 220.5
[M+Na-2H]- 376.091486 187.2
[M]+ 355.11627142 185.7
[M]- 355.11736858 185.7
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.