CID 379783

Nsc664873

Structural Information

Molecular Formula
C15H14ClN3O4
SMILES
CC(=O)N(CC(=O)C(=O)NNC1=COC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClN3O4/c1-10(20)19(13-4-2-11(16)3-5-13)8-14(21)15(22)18-17-12-6-7-23-9-12/h2-7,9,17H,8H2,1H3,(H,18,22)
InChIKey
BEPTYFFGWATXGH-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-[3-[2-(furan-3-yl)hydrazinyl]-2,3-dioxopropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0673 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07458 178.5
[M+Na]+ 358.05652 183.4
[M-H]- 334.06002 187.2
[M+NH4]+ 353.10112 192.4
[M+K]+ 374.03046 182.0
[M+H-H2O]+ 318.06456 170.8
[M+HCOO]- 380.06550 199.7
[M+CH3COO]- 394.08115 215.6
[M+Na-2H]- 356.04197 180.0
[M]+ 335.06675 182.6
[M]- 335.06785 182.6
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.