CID 3019962

84560-04-3

Structural Information

Molecular Formula
C17H14N2O4
SMILES
CC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)OC
InChI
InChI=1S/C17H14N2O4/c1-8(20)19-11-7-12(23-2)15(18)14-13(11)16(21)9-5-3-4-6-10(9)17(14)22/h3-7H,18H2,1-2H3,(H,19,20)
InChIKey
SVFPILGVWYPIDO-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 167.5
[M+Na]+ 333.08459 177.0
[M-H]- 309.08809 173.3
[M+NH4]+ 328.12919 184.0
[M+K]+ 349.05853 173.3
[M+H-H2O]+ 293.09263 160.3
[M+HCOO]- 355.09357 189.0
[M+CH3COO]- 369.10922 214.4
[M+Na-2H]- 331.07004 171.6
[M]+ 310.09482 169.3
[M]- 310.09592 169.3
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.