CID 16205113

38866-20-5

Structural Information

Molecular Formula
C22H25N2O4
SMILES
C[N+]1(CCOCC1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H24N2O4/c1-24(11-13-28-14-12-24)10-4-9-23-17-7-8-18(25)20-19(17)21(26)15-5-2-3-6-16(15)22(20)27/h2-3,5-8H,4,9-14H2,1H3,(H-,23,25,26,27)/p+1
InChIKey
SYCPNQVSWYADQU-UHFFFAOYSA-O
Compound name
1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

381.18143 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18871 189.8
[M+Na]+ 404.17065 204.9
[M+NH4]+ 399.21525 199.6
[M+K]+ 420.14459 195.7
[M-H]- 380.17415 197.1
[M+Na-2H]- 402.15610 196.3
[M]+ 381.18088 194.5
[M]- 381.18198 194.5
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