CID 5092170

618442-00-5

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC=C2C(=C1)C=NN(C2=O)CCC(=O)NN
InChI
InChI=1S/C11H12N4O2/c12-14-10(16)5-6-15-11(17)9-4-2-1-3-8(9)7-13-15/h1-4,7H,5-6,12H2,(H,14,16)
InChIKey
QTHBJDZTQYQRFX-UHFFFAOYSA-N
Compound name
3-(1-oxophthalazin-2-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 149.1
[M+Na]+ 255.08524 157.5
[M-H]- 231.08874 150.8
[M+NH4]+ 250.12984 164.6
[M+K]+ 271.05918 153.9
[M+H-H2O]+ 215.09328 140.8
[M+HCOO]- 277.09422 171.5
[M+CH3COO]- 291.10987 194.6
[M+Na-2H]- 253.07069 156.9
[M]+ 232.09547 148.7
[M]- 232.09657 148.7
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.