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]+ 269.124436 161.1
[M+Na]+ 291.106378 164.6
[M-H]- 267.109884 166.3
[M+NH4]+ 286.150983 176.4
[M+K]+ 307.080318 161.0
[M+H-H2O]+ 251.114420 157.7
[M+HCOO]- 313.115361 188.9
[M+CH3COO]- 327.131011 199.6
[M+Na-2H]- 289.091826 166.8
[M]+ 268.11661142 161.2
[M]- 268.11770858 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.