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]+ 309.134596 169.0
[M+Na]+ 331.116538 175.7
[M-H]- 307.120044 175.0
[M+NH4]+ 326.161143 182.1
[M+K]+ 347.090478 171.2
[M+H-H2O]+ 291.124580 159.4
[M+HCOO]- 353.125521 192.8
[M+CH3COO]- 367.141171 213.2
[M+Na-2H]- 329.101986 176.1
[M]+ 308.12677142 168.0
[M]- 308.12786858 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.