CID 9555014

137205-09-5

Structural Information

Molecular Formula
C14H13N3O3
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C14H13N3O3/c18-13(17-16-9-12-7-4-8-20-12)10-15-14(19)11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19)(H,17,18)/b16-9+
InChIKey
RZMKQWXRAXWHPP-CXUHLZMHSA-N
Compound name
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

271.0957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 161.5
[M+Na]+ 294.08492 165.9
[M-H]- 270.08842 169.9
[M+NH4]+ 289.12952 177.1
[M+K]+ 310.05886 164.9
[M+H-H2O]+ 254.09296 152.8
[M+HCOO]- 316.09390 189.4
[M+CH3COO]- 330.10955 203.0
[M+Na-2H]- 292.07037 167.2
[M]+ 271.09515 162.2
[M]- 271.09625 162.2
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

patents stripe