CID 9570849

2-formylcinchoninic acid amidinohydrazone

Structural Information

Molecular Formula
C12H11N5O2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)/C=N/N=C(N)N)C(=O)O
InChI
InChI=1S/C12H11N5O2/c13-12(14)17-15-6-7-5-9(11(18)19)8-3-1-2-4-10(8)16-7/h1-6H,(H,18,19)(H4,13,14,17)/b15-6+
InChIKey
BYYCBSJOPUXMOT-GIDUJCDVSA-N
Compound name
2-[(E)-(diaminomethylidenehydrazinylidene)methyl]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09128 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09856 154.2
[M+Na]+ 280.08050 160.9
[M-H]- 256.08400 158.1
[M+NH4]+ 275.12510 169.6
[M+K]+ 296.05444 158.1
[M+H-H2O]+ 240.08854 145.8
[M+HCOO]- 302.08948 179.7
[M+CH3COO]- 316.10513 206.8
[M+Na-2H]- 278.06595 160.7
[M]+ 257.09073 151.7
[M]- 257.09183 151.7
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.