CID 88428

20241-74-1

Structural Information

Molecular Formula
C34H34N2O2
SMILES
CCC1=C(C(=CC=C1)CC)NC2=C3C(=C(C=C2)NC4=C(C=CC=C4CC)CC)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C34H34N2O2/c1-5-21-13-11-14-22(6-2)31(21)35-27-19-20-28(36-32-23(7-3)15-12-16-24(32)8-4)30-29(27)33(37)25-17-9-10-18-26(25)34(30)38/h9-20,35-36H,5-8H2,1-4H3
InChIKey
YDWOAJFKMUQBOU-UHFFFAOYSA-N
Compound name
1,4-bis(2,6-diethylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

336
Patents

502.26202 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.26930 231.0
[M+Na]+ 525.25124 237.6
[M-H]- 501.25474 241.6
[M+NH4]+ 520.29584 239.0
[M+K]+ 541.22518 229.2
[M+H-H2O]+ 485.25928 218.2
[M+HCOO]- 547.26022 249.2
[M+CH3COO]- 561.27587 237.9
[M+Na-2H]- 523.23669 230.0
[M]+ 502.26147 232.9
[M]- 502.26257 232.9
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

patents stripe