CID 9578372

2-furaldehyde, 5-nitro-, carbohydrazone

Structural Information

Molecular Formula
C11H8N6O7
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N6O7/c18-11(14-12-5-7-1-3-9(23-7)16(19)20)15-13-6-8-2-4-10(24-8)17(21)22/h1-6H,(H2,14,15,18)/b12-5+,13-6+
InChIKey
UUVQUGBOOQEKFH-BYDSPXIWSA-N
Compound name
1,3-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04544 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05272 172.9
[M+Na]+ 359.03466 175.7
[M-H]- 335.03816 183.6
[M+NH4]+ 354.07926 183.9
[M+K]+ 375.00860 168.9
[M+H-H2O]+ 319.04270 172.3
[M+HCOO]- 381.04364 205.6
[M+CH3COO]- 395.05929 205.4
[M+Na-2H]- 357.02011 184.5
[M]+ 336.04489 173.1
[M]- 336.04599 173.1
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.