CID 100426

2,9-dimethoxyquinacridone

Structural Information

Molecular Formula
C22H16N2O4
SMILES
COC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)OC
InChI
InChI=1S/C22H16N2O4/c1-27-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(28-2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey
WKLOSXKZASUWLB-UHFFFAOYSA-N
Compound name
2,9-dimethoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

193
Patents

372.111 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 188.6
[M+Na]+ 395.10022 208.6
[M+NH4]+ 390.14482 196.6
[M+K]+ 411.07416 198.8
[M-H]- 371.10372 192.3
[M+Na-2H]- 393.08567 195.2
[M]+ 372.11045 192.8
[M]- 372.11155 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe