CID 101143180

2-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]-5,12-dihydroquino[2,3-b]acridine-7,14-dione

Structural Information

Molecular Formula
C26H20N4O2
SMILES
CC1=CC(=NN1CC2=CC3=C(C=C2)NC4=C(C3=O)C=C5C(=C4)C(=O)C6=CC=CC=C6N5)C
InChI
InChI=1S/C26H20N4O2/c1-14-9-15(2)30(29-14)13-16-7-8-22-18(10-16)26(32)20-12-23-19(11-24(20)28-22)25(31)17-5-3-4-6-21(17)27-23/h3-12H,13H2,1-2H3,(H,27,31)(H,28,32)
InChIKey
SFBKCTDCPOKTKZ-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethylpyrazol-1-yl)methyl]-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

420.15863 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16591 206.7
[M+Na]+ 443.14785 227.5
[M+NH4]+ 438.19245 214.3
[M+K]+ 459.12179 218.5
[M-H]- 419.15135 211.6
[M+Na-2H]- 441.13330 213.5
[M]+ 420.15808 211.5
[M]- 420.15918 211.5
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

patents stripe