CID 9570497

5-nitro-2-furaldehyde (isopropylaminoacetyl)hydrazone acetate

Structural Information

Molecular Formula
C10H14N4O4
SMILES
CC(C)NCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O4/c1-7(2)11-6-9(15)13-12-5-8-3-4-10(18-8)14(16)17/h3-5,7,11H,6H2,1-2H3,(H,13,15)/b12-5+
InChIKey
DJGJUUKSEPQREI-LFYBBSHMSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 156.3
[M+Na]+ 277.09072 160.2
[M-H]- 253.09422 161.7
[M+NH4]+ 272.13532 172.1
[M+K]+ 293.06466 156.8
[M+H-H2O]+ 237.09876 153.1
[M+HCOO]- 299.09970 184.4
[M+CH3COO]- 313.11535 196.6
[M+Na-2H]- 275.07617 162.5
[M]+ 254.10095 156.1
[M]- 254.10205 156.1
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.