CID 9570849

Cinchoninic acid, 2-formyl-, 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]+ 258.098556 154.2
[M+Na]+ 280.080498 160.9
[M-H]- 256.084004 158.1
[M+NH4]+ 275.125103 169.6
[M+K]+ 296.054438 158.1
[M+H-H2O]+ 240.088540 145.8
[M+HCOO]- 302.089481 179.7
[M+CH3COO]- 316.105131 206.8
[M+Na-2H]- 278.065946 160.7
[M]+ 257.09073142 151.7
[M]- 257.09182858 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.