CID 119872

29205-96-7

Structural Information

Molecular Formula
C31H34N2O3
SMILES
CCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4CC(CC(C4)(C)C)C)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C31H34N2O3/c1-5-36-22-12-10-20(11-13-22)32-25-14-15-26(33-21-16-19(2)17-31(3,4)18-21)28-27(25)29(34)23-8-6-7-9-24(23)30(28)35/h6-15,19,21,32-33H,5,16-18H2,1-4H3
InChIKey
MJBSYEWZIOCLRR-UHFFFAOYSA-N
Compound name
1-(4-ethoxyanilino)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

482.25696 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.264236 220.6
[M+Na]+ 505.246178 225.8
[M-H]- 481.249684 230.6
[M+NH4]+ 500.290783 231.0
[M+K]+ 521.220118 219.4
[M+H-H2O]+ 465.254220 208.3
[M+HCOO]- 527.255161 236.1
[M+CH3COO]- 541.270811 227.5
[M+Na-2H]- 503.231626 220.6
[M]+ 482.25641142 219.0
[M]- 482.25750858 219.0
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