CID 9587956

Brn 0961494

Structural Information

Molecular Formula
C16H13ClN4
SMILES
CN(C1=NN=C(C2=CC=CC=C21)Cl)/N=C/C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN4/c1-21(18-11-12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15(17)19-20-16/h2-11H,1H3/b18-11+
InChIKey
UJZXCZJLQRZYDA-WOJGMQOQSA-N
Compound name
N-[(E)-benzylideneamino]-4-chloro-N-methylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0829 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09018 166.8
[M+Na]+ 319.07212 175.7
[M-H]- 295.07562 173.9
[M+NH4]+ 314.11672 181.7
[M+K]+ 335.04606 170.0
[M+H-H2O]+ 279.08016 156.5
[M+HCOO]- 341.08110 187.0
[M+CH3COO]- 355.09675 178.6
[M+Na-2H]- 317.05757 175.7
[M]+ 296.08235 170.2
[M]- 296.08345 170.2
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.