CID 204614

Brn 1582446

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=NN(C(=O)C2=C1C=CC=C2N)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O/c1-10-12-8-5-9-13(16)14(12)15(19)18(17-10)11-6-3-2-4-7-11/h2-9H,16H2,1H3
InChIKey
DGMMATDFCMSJFH-UHFFFAOYSA-N
Compound name
8-amino-4-methyl-2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 156.4
[M+Na]+ 274.09509 173.3
[M+NH4]+ 269.13969 165.0
[M+K]+ 290.06903 165.0
[M-H]- 250.09859 161.6
[M+Na-2H]- 272.08054 166.1
[M]+ 251.10532 160.4
[M]- 251.10642 160.4
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.