CID 20578174

85011-89-8

Structural Information

Molecular Formula
C27H28N2O3
SMILES
CC(C)NC1=C2C(=C(C=C1)NC3=CC=C(C=C3)C(C)(C)C)C(=O)C4=C(C2=O)C=CC=C4O
InChI
InChI=1S/C27H28N2O3/c1-15(2)28-19-13-14-20(29-17-11-9-16(10-12-17)27(3,4)5)24-23(19)25(31)18-7-6-8-21(30)22(18)26(24)32/h6-15,28-30H,1-5H3
InChIKey
ZATQBJUNCASQRP-UHFFFAOYSA-N
Compound name
4-(4-tert-butylanilino)-5-hydroxy-1-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

428.21 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21728 206.3
[M+Na]+ 451.19922 212.9
[M-H]- 427.20272 213.4
[M+NH4]+ 446.24382 217.2
[M+K]+ 467.17316 207.3
[M+H-H2O]+ 411.20726 197.3
[M+HCOO]- 473.20820 222.5
[M+CH3COO]- 487.22385 238.7
[M+Na-2H]- 449.18467 208.3
[M]+ 428.20945 207.0
[M]- 428.21055 207.0
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