CID 61719

Solvent blue 36

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC(C)NC1=C2C(=C(C=C1)NC(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3
InChIKey
BLFZMXOCPASACY-UHFFFAOYSA-N
Compound name
1,4-bis(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2432
Patents

322.16812 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.9
[M+Na]+ 345.15734 189.3
[M+NH4]+ 340.20194 184.9
[M+K]+ 361.13128 182.0
[M-H]- 321.16084 181.0
[M+Na-2H]- 343.14279 181.3
[M]+ 322.16757 179.7
[M]- 322.16867 179.7
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