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 166.4
[M+Na]+ 318.11007 181.0
[M+NH4]+ 313.15467 175.2
[M+K]+ 334.08401 173.2
[M-H]- 294.11357 170.6
[M+Na-2H]- 316.09552 172.3
[M]+ 295.12030 169.7
[M]- 295.12140 169.7
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.