CID 6454715

63768-01-4

Structural Information

Molecular Formula
C18H17NO3
SMILES
CCCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17NO3/c1-2-3-10-19-13-8-9-14(20)16-15(13)17(21)11-6-4-5-7-12(11)18(16)22/h4-9,19-20H,2-3,10H2,1H3
InChIKey
MLZFWBQTQKBDSJ-UHFFFAOYSA-N
Compound name
1-(butylamino)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

295.12085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 165.9
[M+Na]+ 318.110068 174.6
[M-H]- 294.113574 170.2
[M+NH4]+ 313.154673 182.9
[M+K]+ 334.084008 169.3
[M+H-H2O]+ 278.118110 158.8
[M+HCOO]- 340.119051 185.9
[M+CH3COO]- 354.134701 207.1
[M+Na-2H]- 316.095516 171.3
[M]+ 295.12030142 167.3
[M]- 295.12139858 167.3
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

No patent data available for this compound.