CID 9570195

1-(4-dimethylaminobenzaldehyde)-5-(5-nitrofurfural)carbohydrazone

Structural Information

Molecular Formula
C15H16N6O4
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C15H16N6O4/c1-20(2)12-5-3-11(4-6-12)9-16-18-15(22)19-17-10-13-7-8-14(25-13)21(23)24/h3-10H,1-2H3,(H2,18,19,22)/b16-9+,17-10+
InChIKey
IGWVNRLDWOFZKZ-CZCYGEDCSA-N
Compound name
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1233 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13058 180.1
[M+Na]+ 367.11252 187.8
[M+NH4]+ 362.15712 184.9
[M+K]+ 383.08646 187.8
[M-H]- 343.11602 187.3
[M+Na-2H]- 365.09797 185.4
[M]+ 344.12275 182.5
[M]- 344.12385 182.5
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.