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]+ 250.097486 154.7
[M+Na]+ 272.079428 169.1
[M-H]- 248.082934 157.6
[M+NH4]+ 267.124033 172.8
[M+K]+ 288.053368 161.6
[M+H-H2O]+ 232.087470 146.4
[M+HCOO]- 294.088411 175.0
[M+CH3COO]- 308.104061 167.9
[M+Na-2H]- 270.064876 164.2
[M]+ 249.08966142 158.5
[M]- 249.09075858 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.