CID 88210

9,10-anthracenedione, 1,4-bis[(2-methylpropyl)amino]-

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC(C)CNC1=C2C(=C(C=C1)NCC(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H26N2O2/c1-13(2)11-23-17-9-10-18(24-12-14(3)4)20-19(17)21(25)15-7-5-6-8-16(15)22(20)26/h5-10,13-14,23-24H,11-12H2,1-4H3
InChIKey
AWGCJODNVVGFRV-UHFFFAOYSA-N
Compound name
1,4-bis(2-methylpropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

350.19943 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 185.2
[M+Na]+ 373.18865 191.1
[M-H]- 349.19215 190.0
[M+NH4]+ 368.23325 200.0
[M+K]+ 389.16259 186.3
[M+H-H2O]+ 333.19669 177.2
[M+HCOO]- 395.19763 204.0
[M+CH3COO]- 409.21328 226.2
[M+Na-2H]- 371.17410 186.8
[M]+ 350.19888 186.3
[M]- 350.19998 186.3
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