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]+ 296.128126 165.6
[M+Na]+ 318.110068 174.8
[M-H]- 294.113574 172.7
[M+NH4]+ 313.154673 183.9
[M+K]+ 334.084008 171.7
[M+H-H2O]+ 278.118110 157.9
[M+HCOO]- 340.119051 187.6
[M+CH3COO]- 354.134701 212.7
[M+Na-2H]- 316.095516 170.6
[M]+ 295.12030142 169.9
[M]- 295.12139858 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.