CID 15959094

4-[(4-chlorophenyl)methyl]-6-methyl-2h-phthalazin-1-one

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC1=CC2=C(C=C1)C(=O)NN=C2CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O/c1-10-2-7-13-14(8-10)15(18-19-16(13)20)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,19,20)
InChIKey
BFMQPXCTZPZURS-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-6-methyl-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 163.2
[M+Na]+ 307.06088 174.6
[M-H]- 283.06438 167.1
[M+NH4]+ 302.10548 177.8
[M+K]+ 323.03482 166.6
[M+H-H2O]+ 267.06892 154.7
[M+HCOO]- 329.06986 178.1
[M+CH3COO]- 343.08551 174.8
[M+Na-2H]- 305.04633 169.4
[M]+ 284.07111 165.2
[M]- 284.07221 165.2
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

No patent data available for this compound.