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]+ 275.150246 163.8
[M+Na]+ 297.132188 171.4
[M-H]- 273.135694 165.5
[M+NH4]+ 292.176793 177.8
[M+K]+ 313.106128 167.8
[M+H-H2O]+ 257.140230 155.3
[M+HCOO]- 319.141171 184.1
[M+CH3COO]- 333.156821 205.8
[M+Na-2H]- 295.117636 168.0
[M]+ 274.14242142 164.2
[M]- 274.14351858 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.