CID 40502

Brn 2148463

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN(C)CC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C18H17NO3/c1-19(2)10-14-15(22-3)9-8-13-16(14)18(21)12-7-5-4-6-11(12)17(13)20/h4-9H,10H2,1-3H3
InChIKey
NSTONUBYIUEEBA-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]-2-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 165.6
[M+Na]+ 318.11007 174.8
[M-H]- 294.11357 172.7
[M+NH4]+ 313.15467 183.9
[M+K]+ 334.08401 171.7
[M+H-H2O]+ 278.11811 157.9
[M+HCOO]- 340.11905 187.6
[M+CH3COO]- 354.13470 212.7
[M+Na-2H]- 316.09552 170.6
[M]+ 295.12030 169.9
[M]- 295.12140 169.9
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.