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 207.1
[M+Na]+ 443.14785 220.9
[M-H]- 419.15135 211.7
[M+NH4]+ 438.19245 216.4
[M+K]+ 459.12179 209.7
[M+H-H2O]+ 403.15589 195.2
[M+HCOO]- 465.15683 220.8
[M+CH3COO]- 479.17248 215.6
[M+Na-2H]- 441.13330 211.5
[M]+ 420.15808 210.9
[M]- 420.15918 210.9
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

patents stripe