CID 78564

4851-50-7

Structural Information

Molecular Formula
C34H34N2O4
SMILES
CC(C)(C)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C(C)(C)C)C(=O)C5=C(C=CC(=C5C3=O)O)O
InChI
InChI=1S/C34H34N2O4/c1-33(2,3)19-7-11-21(12-8-19)35-23-15-16-24(36-22-13-9-20(10-14-22)34(4,5)6)28-27(23)31(39)29-25(37)17-18-26(38)30(29)32(28)40/h7-18,35-38H,1-6H3
InChIKey
KWBCXNHXXWZCMM-UHFFFAOYSA-N
Compound name
1,4-bis(4-tert-butylanilino)-5,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

534.25183 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.25911 237.1
[M+Na]+ 557.24105 251.6
[M+NH4]+ 552.28565 242.9
[M+K]+ 573.21499 243.3
[M-H]- 533.24455 244.0
[M+Na-2H]- 555.22650 243.6
[M]+ 534.25128 241.4
[M]- 534.25238 241.4
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