CID 117119

Einecs 275-342-9

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 219.8
[M+Na]+ 497.21996 224.9
[M-H]- 473.22346 230.2
[M+NH4]+ 492.26456 228.2
[M+K]+ 513.19390 217.9
[M+H-H2O]+ 457.22800 207.8
[M+HCOO]- 519.22894 237.0
[M+CH3COO]- 533.24459 226.9
[M+Na-2H]- 495.20541 219.4
[M]+ 474.23019 219.3
[M]- 474.23129 219.3
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