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

literature stripe

Patent stripe

patents stripe