CID 54688252

Brn 4605234

Structural Information

Molecular Formula
C17H16N6O5
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)N/N=C/C3=NC=C(N3C)[N+](=O)[O-])O
InChI
InChI=1S/C17H16N6O5/c1-3-22-11-7-5-4-6-10(11)15(24)14(17(22)26)16(25)20-19-8-12-18-9-13(21(12)2)23(27)28/h4-9,24H,3H2,1-2H3,(H,20,25)/b19-8+
InChIKey
VCRGHGKBTRDLCN-UFWORHAWSA-N
Compound name
1-ethyl-4-hydroxy-N-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11823 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12551 185.2
[M+Na]+ 407.10745 193.6
[M-H]- 383.11095 190.9
[M+NH4]+ 402.15205 194.2
[M+K]+ 423.08139 185.1
[M+H-H2O]+ 367.11549 179.6
[M+HCOO]- 429.11643 209.2
[M+CH3COO]- 443.13208 218.2
[M+Na-2H]- 405.09290 192.0
[M]+ 384.11768 188.0
[M]- 384.11878 188.0
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.