CID 3077550

Brn 4817149

Structural Information

Molecular Formula
C17H16N4O2
SMILES
COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NN
InChI
InChI=1S/C17H16N4O2/c1-23-12-6-4-5-11(9-12)19-16-10-14(17(22)21-18)13-7-2-3-8-15(13)20-16/h2-10H,18H2,1H3,(H,19,20)(H,21,22)
InChIKey
HURDCVAOIRSSCE-UHFFFAOYSA-N
Compound name
2-(3-methoxyanilino)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 169.0
[M+Na]+ 331.11654 175.7
[M-H]- 307.12004 175.0
[M+NH4]+ 326.16114 182.1
[M+K]+ 347.09048 171.2
[M+H-H2O]+ 291.12458 159.4
[M+HCOO]- 353.12552 192.8
[M+CH3COO]- 367.14117 213.2
[M+Na-2H]- 329.10199 176.1
[M]+ 308.12677 168.0
[M]- 308.12787 168.0
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.