CID 9623610

443968-13-6

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C18H17N3O4/c1-12-2-5-14(6-3-12)18(23)19-10-17(22)21-20-9-13-4-7-15-16(8-13)25-11-24-15/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)/b20-9+
InChIKey
FQECXAWWEMSBNK-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 179.9
[M+Na]+ 362.11114 184.8
[M-H]- 338.11464 189.9
[M+NH4]+ 357.15574 192.7
[M+K]+ 378.08508 184.1
[M+H-H2O]+ 322.11918 171.4
[M+HCOO]- 384.12012 204.0
[M+CH3COO]- 398.13577 218.2
[M+Na-2H]- 360.09659 184.9
[M]+ 339.12137 182.4
[M]- 339.12247 182.4
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.