CID 117119

71335-92-7

Structural Information

Molecular Formula
C32H30N2O2
SMILES
CC(C)C1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)C(C)C
InChI
InChI=1S/C32H30N2O2/c1-19(2)21-11-15-23(16-12-21)33-27-9-5-7-25-29(27)31(35)26-8-6-10-28(30(26)32(25)36)34-24-17-13-22(14-18-24)20(3)4/h5-20,33-34H,1-4H3
InChIKey
XMZQPOLSQHYOOW-UHFFFAOYSA-N
Compound name
1,5-bis(4-propan-2-ylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

474.23074 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23802 221.6
[M+Na]+ 497.21996 238.0
[M+NH4]+ 492.26456 229.8
[M+K]+ 513.19390 227.2
[M-H]- 473.22346 231.2
[M+Na-2H]- 495.20541 230.3
[M]+ 474.23019 226.9
[M]- 474.23129 226.9
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