CID 16205917

93982-26-4

Structural Information

Molecular Formula
C18H17NO4
SMILES
COCCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17NO4/c1-23-10-4-9-19-13-7-8-14(20)16-15(13)17(21)11-5-2-3-6-12(11)18(16)22/h2-3,5-8,19-20H,4,9-10H2,1H3
InChIKey
CTKVYBVRHPGRCA-UHFFFAOYSA-N
Compound name
1-hydroxy-4-(3-methoxypropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

311.11575 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.123026 168.7
[M+Na]+ 334.104968 177.2
[M-H]- 310.108474 172.9
[M+NH4]+ 329.149573 184.8
[M+K]+ 350.078908 172.5
[M+H-H2O]+ 294.113010 161.3
[M+HCOO]- 356.113951 188.8
[M+CH3COO]- 370.129601 209.4
[M+Na-2H]- 332.090416 174.2
[M]+ 311.11520142 171.5
[M]- 311.11629858 171.5
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