CID 438262

Nsc629701

Structural Information

Molecular Formula
C14H8ClN3O
SMILES
C1=CC=C2C(=C1)C(=O)C3=C4C(=C(NN4)Cl)C=CC3=N2
InChI
InChI=1S/C14H8ClN3O/c15-14-8-5-6-10-11(12(8)17-18-14)13(19)7-3-1-2-4-9(7)16-10/h1-6,17-18H
InChIKey
SLSBCSNMGZLLMJ-UHFFFAOYSA-N
Compound name
3-chloro-1,2-dihydropyrazolo[3,4-a]acridin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.03558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04286 155.8
[M+Na]+ 292.02480 171.0
[M-H]- 268.02830 157.2
[M+NH4]+ 287.06940 173.3
[M+K]+ 307.99874 161.7
[M+H-H2O]+ 252.03284 148.4
[M+HCOO]- 314.03378 170.3
[M+CH3COO]- 328.04943 168.4
[M+Na-2H]- 290.01025 165.1
[M]+ 269.03503 159.8
[M]- 269.03613 159.8
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.