CID 362926

Nsc627402

Structural Information

Molecular Formula
C17H13N3O
SMILES
CC1=C(C2=CC=CC=C2N1)C3=NNC(=O)C4=CC=CC=C43
InChI
InChI=1S/C17H13N3O/c1-10-15(13-8-4-5-9-14(13)18-10)16-11-6-2-3-7-12(11)17(21)20-19-16/h2-9,18H,1H3,(H,20,21)
InChIKey
GCFDQGJQJMBUTC-UHFFFAOYSA-N
Compound name
4-(2-methyl-1H-indol-3-yl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10587 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 163.2
[M+Na]+ 298.09509 175.3
[M-H]- 274.09859 166.6
[M+NH4]+ 293.13969 178.1
[M+K]+ 314.06903 166.8
[M+H-H2O]+ 258.10313 154.3
[M+HCOO]- 320.10407 181.5
[M+CH3COO]- 334.11972 174.7
[M+Na-2H]- 296.08054 169.8
[M]+ 275.10532 163.3
[M]- 275.10642 163.3
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.