CID 40504

2-methoxy-1-pyrrolidinylmethylanthraquinone

Structural Information

Molecular Formula
C20H19NO3
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)CN4CCCC4
InChI
InChI=1S/C20H19NO3/c1-24-17-9-8-15-18(16(17)12-21-10-4-5-11-21)20(23)14-7-3-2-6-13(14)19(15)22/h2-3,6-9H,4-5,10-12H2,1H3
InChIKey
SZQDMWJAZPQSIV-UHFFFAOYSA-N
Compound name
2-methoxy-1-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 175.4
[M+Na]+ 344.12572 183.6
[M-H]- 320.12922 182.4
[M+NH4]+ 339.17032 192.1
[M+K]+ 360.09966 178.1
[M+H-H2O]+ 304.13376 166.9
[M+HCOO]- 366.13470 193.1
[M+CH3COO]- 380.15035 186.4
[M+Na-2H]- 342.11117 176.8
[M]+ 321.13595 175.6
[M]- 321.13705 175.6
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

No patent data available for this compound.