CID 9578713

N-(2-thienylcarbonyl)glycine (3-(5-nitro-2-furanyl)-2-propenylidene)hydrazide

Structural Information

Molecular Formula
C14H12N4O5S
SMILES
C1=CSC(=C1)C(=O)NCC(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O5S/c19-12(9-15-14(20)11-4-2-8-24-11)17-16-7-1-3-10-5-6-13(23-10)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19)/b3-1+,16-7+
InChIKey
NBXQSYDSUYZRDD-JLALNBPMSA-N
Compound name
N-[2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.05283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06011 180.9
[M+Na]+ 371.04205 185.0
[M-H]- 347.04555 189.9
[M+NH4]+ 366.08665 194.6
[M+K]+ 387.01599 178.8
[M+H-H2O]+ 331.05009 177.0
[M+HCOO]- 393.05103 206.3
[M+CH3COO]- 407.06668 206.8
[M+Na-2H]- 369.02750 184.7
[M]+ 348.05228 183.1
[M]- 348.05338 183.1
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.