CID 6867170

1-chloro-4-(2-(4-isopropylbenzylidene)hydrazinyl)phthalazine

Structural Information

Molecular Formula
C18H17ClN4
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC2=NN=C(C3=CC=CC=C32)Cl
InChI
InChI=1S/C18H17ClN4/c1-12(2)14-9-7-13(8-10-14)11-20-22-18-16-6-4-3-5-15(16)17(19)21-23-18/h3-12H,1-2H3,(H,22,23)/b20-11+
InChIKey
NAEFAIMKWNJWBA-RGVLZGJSSA-N
Compound name
4-chloro-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]phthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.11417 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12145 176.5
[M+Na]+ 347.10339 185.0
[M-H]- 323.10689 182.3
[M+NH4]+ 342.14799 189.8
[M+K]+ 363.07733 178.0
[M+H-H2O]+ 307.11143 166.4
[M+HCOO]- 369.11237 194.6
[M+CH3COO]- 383.12802 187.1
[M+Na-2H]- 345.08884 183.1
[M]+ 324.11362 179.1
[M]- 324.11472 179.1
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.