CID 81473

Solvent blue 59

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCNC1=C2C(=C(C=C1)NCC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3
InChIKey
JUUJTYPMICHIEM-UHFFFAOYSA-N
Compound name
1,4-bis(ethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

4547
Patents

294.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 166.0
[M+Na]+ 317.12606 174.5
[M-H]- 293.12956 171.6
[M+NH4]+ 312.17066 183.5
[M+K]+ 333.10000 169.3
[M+H-H2O]+ 277.13410 158.5
[M+HCOO]- 339.13504 188.4
[M+CH3COO]- 353.15069 212.4
[M+Na-2H]- 315.11151 172.3
[M]+ 294.13629 167.2
[M]- 294.13739 167.2
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.