CID 369484

Nsc641254

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=CC=CC=C2)C(=O)NN
InChI
InChI=1S/C18H17N3O4/c1-11(22)13-8-5-9-14(10-13)20-18(25)16(23)15(17(24)21-19)12-6-3-2-4-7-12/h2-10,15H,19H2,1H3,(H,20,25)(H,21,24)
InChIKey
YUWYMRDWXUCODA-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-4-hydrazinyl-2,4-dioxo-3-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 179.1
[M+Na]+ 362.11114 181.6
[M-H]- 338.11464 184.8
[M+NH4]+ 357.15574 190.1
[M+K]+ 378.08508 179.7
[M+H-H2O]+ 322.11918 170.1
[M+HCOO]- 384.12012 201.1
[M+CH3COO]- 398.13577 218.5
[M+Na-2H]- 360.09659 178.7
[M]+ 339.12137 176.4
[M]- 339.12247 176.4
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.