CID 2835180

71720-87-1

Structural Information

Molecular Formula
C18H15NO5
SMILES
COC(=O)CCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15NO5/c1-24-14(21)8-9-19-12-6-7-13(20)16-15(12)17(22)10-4-2-3-5-11(10)18(16)23/h2-7,19-20H,8-9H2,1H3
InChIKey
YPAXZARCKVMKEA-UHFFFAOYSA-N
Compound name
methyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

325.09503 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 172.4
[M+Na]+ 348.08425 184.9
[M+NH4]+ 343.12885 179.0
[M+K]+ 364.05819 178.7
[M-H]- 324.08775 174.2
[M+Na-2H]- 346.06970 176.0
[M]+ 325.09448 174.4
[M]- 325.09558 174.4
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