CID 609646

56813-52-6

Structural Information

Molecular Formula
C15H11ClN4
SMILES
C1=CC=C(C=C1)C=NNC2=NN=C(C3=CC=CC=C32)Cl
InChI
InChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-10H,(H,19,20)
InChIKey
XWEDVIXMINEDLB-UHFFFAOYSA-N
Compound name
N-(benzylideneamino)-4-chlorophthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.06723 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07451 161.7
[M+Na]+ 305.05645 171.0
[M-H]- 281.05995 167.5
[M+NH4]+ 300.10105 176.5
[M+K]+ 321.03039 164.1
[M+H-H2O]+ 265.06449 151.9
[M+HCOO]- 327.06543 181.8
[M+CH3COO]- 341.08108 173.4
[M+Na-2H]- 303.04190 172.0
[M]+ 282.06668 163.5
[M]- 282.06778 163.5
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

patents stripe