CID 82469

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-2-methyl-

Structural Information

Molecular Formula
C21H14N2O2
SMILES
CC1=CC2=C(C=C1)NC3=C(C2=O)C=C4C(=C3)C(=O)C5=CC=CC=C5N4
InChI
InChI=1S/C21H14N2O2/c1-11-6-7-17-13(8-11)21(25)15-10-18-14(9-19(15)23-17)20(24)12-4-2-3-5-16(12)22-18/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKey
MHNYFZUKHPYYCS-UHFFFAOYSA-N
Compound name
2-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

326.10553 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 175.7
[M+Na]+ 349.09475 189.6
[M-H]- 325.09825 179.3
[M+NH4]+ 344.13935 190.1
[M+K]+ 365.06869 180.0
[M+H-H2O]+ 309.10279 165.8
[M+HCOO]- 371.10373 192.3
[M+CH3COO]- 385.11938 186.7
[M+Na-2H]- 347.08020 186.1
[M]+ 326.10498 178.2
[M]- 326.10608 178.2
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