CID 83738

Einecs 237-452-5

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CC1=CC2=C(C=C1)NC3=C(C2=O)CC4=C(C3)C(=O)C5=C(N4)C=CC(=C5)C
InChI
InChI=1S/C22H18N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-8H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
XZDLFPWBCHSYFJ-UHFFFAOYSA-N
Compound name
2,9-dimethyl-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

342.13684 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 181.9
[M+Na]+ 365.12606 194.2
[M-H]- 341.12956 184.8
[M+NH4]+ 360.17066 195.7
[M+K]+ 381.10000 184.8
[M+H-H2O]+ 325.13410 171.9
[M+HCOO]- 387.13504 195.2
[M+CH3COO]- 401.15069 191.7
[M+Na-2H]- 363.11151 189.0
[M]+ 342.13629 182.3
[M]- 342.13739 182.3
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