CID 5362046

Brn 4503768

Structural Information

Molecular Formula
C9H10N4O4
SMILES
C1CC(=NC1)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c14-9(12-11-7-2-1-5-10-7)6-3-4-8(17-6)13(15)16/h3-4H,1-2,5H2,(H,10,11)(H,12,14)
InChIKey
FDLGSRROBQGWED-UHFFFAOYSA-N
Compound name
N'-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitrofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 147.8
[M+Na]+ 261.05942 152.4
[M-H]- 237.06292 154.3
[M+NH4]+ 256.10402 164.2
[M+K]+ 277.03336 148.5
[M+H-H2O]+ 221.06746 144.7
[M+HCOO]- 283.06840 174.3
[M+CH3COO]- 297.08405 184.5
[M+Na-2H]- 259.04487 154.8
[M]+ 238.06965 144.9
[M]- 238.07075 144.9
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.