CID 204615

Brn 1586651

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=NN(C(=O)C2=C1C=CC=C2N)CC3=CC=CC=C3
InChI
InChI=1S/C16H15N3O/c1-11-13-8-5-9-14(17)15(13)16(20)19(18-11)10-12-6-3-2-4-7-12/h2-9H,10,17H2,1H3
InChIKey
POEOHNFBBCWHFQ-UHFFFAOYSA-N
Compound name
8-amino-2-benzyl-4-methylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12152 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.7
[M+Na]+ 288.11074 172.1
[M-H]- 264.11424 166.9
[M+NH4]+ 283.15534 176.4
[M+K]+ 304.08468 165.9
[M+H-H2O]+ 248.11878 152.3
[M+HCOO]- 310.11972 183.2
[M+CH3COO]- 324.13537 173.7
[M+Na-2H]- 286.09619 168.4
[M]+ 265.12097 161.8
[M]- 265.12207 161.8
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.