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
3
Annotation Hits

0
References

54
Patents

350.19943 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 185.2
[M+Na]+ 373.188648 191.1
[M-H]- 349.192154 190.0
[M+NH4]+ 368.233253 200.0
[M+K]+ 389.162588 186.3
[M+H-H2O]+ 333.196690 177.2
[M+HCOO]- 395.197631 204.0
[M+CH3COO]- 409.213281 226.2
[M+Na-2H]- 371.174096 186.8
[M]+ 350.19888142 186.3
[M]- 350.19997858 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