CID 9578722

Brn 1301474

Structural Information

Molecular Formula
C17H16N4O6
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)N/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O6/c22-15(11-18-17(23)26-12-13-5-2-1-3-6-13)20-19-10-4-7-14-8-9-16(27-14)21(24)25/h1-10H,11-12H2,(H,18,23)(H,20,22)/b7-4+,19-10+
InChIKey
TXKDERQETMQJKX-XLWYYFMFSA-N
Compound name
benzyl N-[2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11428 185.2
[M+Na]+ 395.09622 187.1
[M-H]- 371.09972 193.2
[M+NH4]+ 390.14082 195.4
[M+K]+ 411.07016 181.9
[M+H-H2O]+ 355.10426 179.9
[M+HCOO]- 417.10520 213.1
[M+CH3COO]- 431.12085 214.1
[M+Na-2H]- 393.08167 190.9
[M]+ 372.10645 186.0
[M]- 372.10755 186.0
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.