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]+ 325.11828 172.2
[M+Na]+ 347.10022 181.1
[M-H]- 323.10372 177.7
[M+NH4]+ 342.14482 188.1
[M+K]+ 363.07416 177.3
[M+H-H2O]+ 307.10826 164.7
[M+HCOO]- 369.10920 193.3
[M+CH3COO]- 383.12485 217.4
[M+Na-2H]- 345.08567 175.7
[M]+ 324.11045 174.2
[M]- 324.11155 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.