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
2
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]+ 343.144116 181.9
[M+Na]+ 365.126058 194.2
[M-H]- 341.129564 184.8
[M+NH4]+ 360.170663 195.7
[M+K]+ 381.099998 184.8
[M+H-H2O]+ 325.134100 171.9
[M+HCOO]- 387.135041 195.2
[M+CH3COO]- 401.150691 191.7
[M+Na-2H]- 363.111506 189.0
[M]+ 342.13629142 182.3
[M]- 342.13738858 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