CID 277728

1-(2-phthalazin-1-ylhydrazino)phthalazine

Structural Information

Molecular Formula
C16H12N6
SMILES
C1=CC=C2C(=C1)C=NN=C2NNC3=NN=CC4=CC=CC=C43
InChI
InChI=1S/C16H12N6/c1-3-7-13-11(5-1)9-17-19-15(13)21-22-16-14-8-4-2-6-12(14)10-18-20-16/h1-10H,(H,19,21)(H,20,22)
InChIKey
ITXSXNARZIEBGB-UHFFFAOYSA-N
Compound name
1,2-di(phthalazin-1-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.11234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11962 162.6
[M+Na]+ 311.10156 172.3
[M-H]- 287.10506 166.0
[M+NH4]+ 306.14616 173.6
[M+K]+ 327.07550 164.7
[M+H-H2O]+ 271.10960 150.9
[M+HCOO]- 333.11054 183.6
[M+CH3COO]- 347.12619 173.1
[M+Na-2H]- 309.08701 177.3
[M]+ 288.11179 162.6
[M]- 288.11289 162.6
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

patents stripe