CID 9570500

Glycine, n-isobutyl-, 2-(5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C11H16N4O4
SMILES
CC(C)CNCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H16N4O4/c1-8(2)5-12-7-10(16)14-13-6-9-3-4-11(19-9)15(17)18/h3-4,6,8,12H,5,7H2,1-2H3,(H,14,16)/b13-6+
InChIKey
OHDGFKJVBKWYHH-AWNIVKPZSA-N
Compound name
2-(2-methylpropylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 161.1
[M+Na]+ 291.10638 164.6
[M-H]- 267.10988 166.3
[M+NH4]+ 286.15098 176.4
[M+K]+ 307.08032 161.0
[M+H-H2O]+ 251.11442 157.7
[M+HCOO]- 313.11536 188.9
[M+CH3COO]- 327.13101 199.6
[M+Na-2H]- 289.09183 166.8
[M]+ 268.11661 161.2
[M]- 268.11771 161.2
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.