CID 91894

56504-94-0

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CNC1=C2C(=C(C=C1)NCCCO)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H18N2O3/c1-19-13-7-8-14(20-9-4-10-21)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23/h2-3,5-8,19-21H,4,9-10H2,1H3
InChIKey
AWFZMEBVAIDNSS-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropylamino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.13174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 171.3
[M+Na]+ 333.12096 183.8
[M+NH4]+ 328.16556 178.9
[M+K]+ 349.09490 176.2
[M-H]- 309.12446 174.8
[M+Na-2H]- 331.10641 175.9
[M]+ 310.13119 173.9
[M]- 310.13229 173.9
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