CID 686841

4-(1h-imidazol-2-yl)phthalazin-1(2h)-one

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)C3=NC=CN3
InChI
InChI=1S/C11H8N4O/c16-11-8-4-2-1-3-7(8)9(14-15-11)10-12-5-6-13-10/h1-6H,(H,12,13)(H,15,16)
InChIKey
RSHQKXIMSDPOBI-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-2-yl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

212.06981 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.077086 144.1
[M+Na]+ 235.059028 155.8
[M-H]- 211.062534 144.9
[M+NH4]+ 230.103633 158.8
[M+K]+ 251.032968 149.0
[M+H-H2O]+ 195.067070 135.2
[M+HCOO]- 257.068011 163.4
[M+CH3COO]- 271.083661 156.2
[M+Na-2H]- 233.044476 152.5
[M]+ 212.06926142 143.0
[M]- 212.07035858 143.0
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.