CID 47780

Brn 0833486

Structural Information

Molecular Formula
C14H18N6O2
SMILES
CC(CN(C)C1=NN=C(C=C1)NNC(=O)C2=CN=CC=C2)O
InChI
InChI=1S/C14H18N6O2/c1-10(21)9-20(2)13-6-5-12(16-18-13)17-19-14(22)11-4-3-7-15-8-11/h3-8,10,21H,9H2,1-2H3,(H,16,17)(H,19,22)
InChIKey
KINVQBONDSECSU-UHFFFAOYSA-N
Compound name
N'-[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]pyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.1491 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15638 168.9
[M+Na]+ 325.13832 173.1
[M-H]- 301.14182 171.6
[M+NH4]+ 320.18292 178.2
[M+K]+ 341.11226 170.7
[M+H-H2O]+ 285.14636 158.1
[M+HCOO]- 347.14730 190.1
[M+CH3COO]- 361.16295 211.9
[M+Na-2H]- 323.12377 175.0
[M]+ 302.14855 168.0
[M]- 302.14965 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

patents stripe