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]+ 356.12410 181.9
[M+Na]+ 378.10604 186.6
[M-H]- 354.10954 191.8
[M+NH4]+ 373.15064 193.9
[M+K]+ 394.07998 186.6
[M+H-H2O]+ 338.11408 173.2
[M+HCOO]- 400.11502 206.1
[M+CH3COO]- 414.13067 220.5
[M+Na-2H]- 376.09149 187.2
[M]+ 355.11627 185.7
[M]- 355.11737 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.