CID 133301

Compound 78-788

Structural Information

Molecular Formula
C14H17N3O
SMILES
CN1CCCCC1C2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C14H17N3O/c1-17-9-5-4-8-12(17)13-10-6-2-3-7-11(10)14(18)16-15-13/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,18)
InChIKey
UVXIJDPCNSDBHE-UHFFFAOYSA-N
Compound name
4-(1-methylpiperidin-2-yl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.13716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 157.0
[M+Na]+ 266.12638 171.7
[M+NH4]+ 261.17098 165.1
[M+K]+ 282.10032 163.9
[M-H]- 242.12988 160.1
[M+Na-2H]- 264.11183 164.1
[M]+ 243.13661 159.9
[M]- 243.13771 159.9
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.