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]+ 421.165906 207.1
[M+Na]+ 443.147848 220.9
[M-H]- 419.151354 211.7
[M+NH4]+ 438.192453 216.4
[M+K]+ 459.121788 209.7
[M+H-H2O]+ 403.155890 195.2
[M+HCOO]- 465.156831 220.8
[M+CH3COO]- 479.172481 215.6
[M+Na-2H]- 441.133296 211.5
[M]+ 420.15808142 210.9
[M]- 420.15917858 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