CID 9570479

5-nitro-2-furaldehyde (diisobutylaminoacetyl)hydrazone

Structural Information

Molecular Formula
C15H24N4O4
SMILES
CC(C)CN(CC(C)C)CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C15H24N4O4/c1-11(2)8-18(9-12(3)4)10-14(20)17-16-7-13-5-6-15(23-13)19(21)22/h5-7,11-12H,8-10H2,1-4H3,(H,17,20)/b16-7+
InChIKey
OWMJKFSJIQIFBC-FRKPEAEDSA-N
Compound name
2-[bis(2-methylpropyl)amino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17975 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18703 181.8
[M+Na]+ 347.16897 183.6
[M-H]- 323.17247 187.9
[M+NH4]+ 342.21357 195.4
[M+K]+ 363.14291 181.0
[M+H-H2O]+ 307.17701 177.9
[M+HCOO]- 369.17795 207.8
[M+CH3COO]- 383.19360 215.8
[M+Na-2H]- 345.15442 183.5
[M]+ 324.17920 184.0
[M]- 324.18030 184.0
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.