CID 122937

Solvent blue 97

Structural Information

Molecular Formula
C36H38N2O2
SMILES
CCC1=CC(=CC(=C1NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4CC)C)CC)C(=O)C5=CC=CC=C5C3=O)CC)C
InChI
InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3
InChIKey
IBABXJRXGSAJLQ-UHFFFAOYSA-N
Compound name
1,4-bis(2,6-diethyl-4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3588
Patents

530.29333 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.30061 242.4
[M+Na]+ 553.28255 260.1
[M+NH4]+ 548.32715 250.1
[M+K]+ 569.25649 247.3
[M-H]- 529.28605 252.4
[M+Na-2H]- 551.26800 249.5
[M]+ 530.29278 248.2
[M]- 530.29388 248.2
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

patents stripe