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
2
Annotation Hits

6
References

4335
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

literature stripe

Patent stripe

patents stripe