CID 9639435

444656-53-5

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C18H17N3O4/c1-12-4-2-3-5-14(12)18(23)19-10-17(22)21-20-9-13-6-7-15-16(8-13)25-11-24-15/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)/b20-9+
InChIKey
AIMWBVPIUNVPPX-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-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]+ 340.129196 179.9
[M+Na]+ 362.111138 184.8
[M-H]- 338.114644 189.9
[M+NH4]+ 357.155743 192.7
[M+K]+ 378.085078 184.1
[M+H-H2O]+ 322.119180 171.4
[M+HCOO]- 384.120121 204.0
[M+CH3COO]- 398.135771 218.2
[M+Na-2H]- 360.096586 184.9
[M]+ 339.12137142 182.4
[M]- 339.12246858 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.