CID 9575179

2-[[4-[[(e)-(5-nitro-2-furyl)methyleneamino]carbamoyl]phenyl]hydrazono]propanedioic acid

Structural Information

Molecular Formula
C15H11N5O8
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])NN=C(C(=O)O)C(=O)O
InChI
InChI=1S/C15H11N5O8/c21-13(19-16-7-10-5-6-11(28-10)20(26)27)8-1-3-9(4-2-8)17-18-12(14(22)23)15(24)25/h1-7,17H,(H,19,21)(H,22,23)(H,24,25)/b16-7+
InChIKey
WQAVCDPCZMLPKE-FRKPEAEDSA-N
Compound name
2-[[4-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.06076 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06804 180.9
[M+Na]+ 412.04998 181.9
[M-H]- 388.05348 188.2
[M+NH4]+ 407.09458 188.8
[M+K]+ 428.02392 178.8
[M+H-H2O]+ 372.05802 175.7
[M+HCOO]- 434.05896 207.2
[M+CH3COO]- 448.07461 219.2
[M+Na-2H]- 410.03543 185.9
[M]+ 389.06021 179.6
[M]- 389.06131 179.6
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

No patent data available for this compound.