CID 457452

3-(6-quinolylamino)butyric acid hydrazide

Structural Information

Molecular Formula
C13H16N4O
SMILES
CC(CC(=O)NN)NC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C13H16N4O/c1-9(7-13(18)17-14)16-11-4-5-12-10(8-11)3-2-6-15-12/h2-6,8-9,16H,7,14H2,1H3,(H,17,18)
InChIKey
DBTZQPYPILRVAB-UHFFFAOYSA-N
Compound name
3-(quinolin-6-ylamino)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 154.1
[M+Na]+ 267.12164 159.3
[M-H]- 243.12514 156.5
[M+NH4]+ 262.16624 169.8
[M+K]+ 283.09558 156.1
[M+H-H2O]+ 227.12968 146.0
[M+HCOO]- 289.13062 176.8
[M+CH3COO]- 303.14627 201.4
[M+Na-2H]- 265.10709 160.8
[M]+ 244.13187 151.4
[M]- 244.13297 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.