CID 9653956

Brn 0374335

Structural Information

Molecular Formula
C14H12N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N6O8/c21-11(17-15-7-9-1-5-13(27-9)19(23)24)3-4-12(22)18-16-8-10-2-6-14(28-10)20(25)26/h1-2,5-8H,3-4H2,(H,17,21)(H,18,22)/b15-7+,16-8+
InChIKey
KRCNTWLEHFMAFQ-BGPOSVGRSA-N
Compound name
N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.07166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07894 187.9
[M+Na]+ 415.06088 193.7
[M+NH4]+ 410.10548 196.6
[M+K]+ 431.03482 202.7
[M-H]- 391.06438 185.1
[M+Na-2H]- 413.04633 185.3
[M]+ 392.07111 190.1
[M]- 392.07221 190.1
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.