CID 76367

9,10-anthracenedione, 1,5-bis[[4-(dimethylamino)phenyl]amino]-

Structural Information

Molecular Formula
C30H28N4O2
SMILES
CN(C)C1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)N(C)C
InChI
InChI=1S/C30H28N4O2/c1-33(2)21-15-11-19(12-16-21)31-25-9-5-7-23-27(25)29(35)24-8-6-10-26(28(24)30(23)36)32-20-13-17-22(18-14-20)34(3)4/h5-18,31-32H,1-4H3
InChIKey
MPORBOAYQHWUMK-UHFFFAOYSA-N
Compound name
1,5-bis[4-(dimethylamino)anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

476.22122 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.22850 217.1
[M+Na]+ 499.21044 222.1
[M-H]- 475.21394 230.2
[M+NH4]+ 494.25504 226.0
[M+K]+ 515.18438 217.5
[M+H-H2O]+ 459.21848 204.3
[M+HCOO]- 521.21942 239.8
[M+CH3COO]- 535.23507 225.1
[M+Na-2H]- 497.19589 220.0
[M]+ 476.22067 218.3
[M]- 476.22177 218.3
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