CID 5743850

Propanamide, n-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)OC
InChI
InChI=1S/C18H16N2O4/c1-3-13(21)20-11-8-12(24-2)16(19)15-14(11)17(22)9-6-4-5-7-10(9)18(15)23/h4-8H,3,19H2,1-2H3,(H,20,21)
InChIKey
NLMCPTOHHZNHMB-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 172.2
[M+Na]+ 347.100218 181.1
[M-H]- 323.103724 177.7
[M+NH4]+ 342.144823 188.1
[M+K]+ 363.074158 177.3
[M+H-H2O]+ 307.108260 164.7
[M+HCOO]- 369.109201 193.3
[M+CH3COO]- 383.124851 217.4
[M+Na-2H]- 345.085666 175.7
[M]+ 324.11045142 174.2
[M]- 324.11154858 174.2
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.