CID 6451771

41611-76-1

Structural Information

Molecular Formula
C32H30N2O2
SMILES
CCC1=CC=CC(=C1NC2=C3C(=C(C=C2)NC4=C(C=CC=C4CC)C)C(=O)C5=CC=CC=C5C3=O)C
InChI
InChI=1S/C32H30N2O2/c1-5-21-13-9-11-19(3)29(21)33-25-17-18-26(34-30-20(4)12-10-14-22(30)6-2)28-27(25)31(35)23-15-7-8-16-24(23)32(28)36/h7-18,33-34H,5-6H2,1-4H3
InChIKey
NPJJGMRERPXCSE-UHFFFAOYSA-N
Compound name
1,4-bis(2-ethyl-6-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

474.23074 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23802 222.3
[M+Na]+ 497.21996 229.8
[M-H]- 473.22346 233.4
[M+NH4]+ 492.26456 231.5
[M+K]+ 513.19390 221.8
[M+H-H2O]+ 457.22800 209.9
[M+HCOO]- 519.22894 241.3
[M+CH3COO]- 533.24459 230.1
[M+Na-2H]- 495.20541 222.3
[M]+ 474.23019 223.7
[M]- 474.23129 223.7
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