CID 364062

Nsc629702

Structural Information

Molecular Formula
C15H11N3O
SMILES
CN1C2=C3C(=NC4=CC=CC=C4C3=O)C=CC2=CN1
InChI
InChI=1S/C15H11N3O/c1-18-14-9(8-16-18)6-7-12-13(14)15(19)10-4-2-3-5-11(10)17-12/h2-8,16H,1H3
InChIKey
AGGOJNMJZIPNOG-UHFFFAOYSA-N
Compound name
1-methyl-2H-pyrazolo[3,4-a]acridin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 154.7
[M+Na]+ 272.07943 169.1
[M-H]- 248.08293 157.6
[M+NH4]+ 267.12403 172.8
[M+K]+ 288.05337 161.6
[M+H-H2O]+ 232.08747 146.4
[M+HCOO]- 294.08841 175.0
[M+CH3COO]- 308.10406 167.9
[M+Na-2H]- 270.06488 164.2
[M]+ 249.08966 158.5
[M]- 249.09076 158.5
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.