CID 2461705

3-(3-methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carbohydrazide

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN
InChI
InChI=1S/C14H18N4O2/c1-9(2)7-8-18-14(20)11-6-4-3-5-10(11)12(17-18)13(19)16-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)
InChIKey
GODPNSMQZPNGSI-UHFFFAOYSA-N
Compound name
3-(3-methylbutyl)-4-oxophthalazine-1-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 163.8
[M+Na]+ 297.13219 171.4
[M-H]- 273.13569 165.5
[M+NH4]+ 292.17679 177.8
[M+K]+ 313.10613 167.8
[M+H-H2O]+ 257.14023 155.3
[M+HCOO]- 319.14117 184.1
[M+CH3COO]- 333.15682 205.8
[M+Na-2H]- 295.11764 168.0
[M]+ 274.14242 164.2
[M]- 274.14352 164.2
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.