CID 9570497

2-furaldehyde, 5-nitro-, (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]+ 255.108776 156.3
[M+Na]+ 277.090718 160.2
[M-H]- 253.094224 161.7
[M+NH4]+ 272.135323 172.1
[M+K]+ 293.064658 156.8
[M+H-H2O]+ 237.098760 153.1
[M+HCOO]- 299.099701 184.4
[M+CH3COO]- 313.115351 196.6
[M+Na-2H]- 275.076166 162.5
[M]+ 254.10095142 156.1
[M]- 254.10204858 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.