CID 3863474

75507-53-8

Structural Information

Molecular Formula
C22H15NO4
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H15NO4/c1-27-14-11-9-13(10-12-14)22(26)23-18-8-4-7-17-19(18)21(25)16-6-3-2-5-15(16)20(17)24/h2-12H,1H3,(H,23,26)
InChIKey
VGSMPPZALKNNJT-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1001 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10738 181.2
[M+Na]+ 380.08932 189.5
[M-H]- 356.09282 189.9
[M+NH4]+ 375.13392 195.3
[M+K]+ 396.06326 184.5
[M+H-H2O]+ 340.09736 171.8
[M+HCOO]- 402.09830 201.8
[M+CH3COO]- 416.11395 192.1
[M+Na-2H]- 378.07477 186.1
[M]+ 357.09955 183.0
[M]- 357.10065 183.0
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