CID 88210

19720-45-7

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 185.9
[M+Na]+ 373.18865 197.9
[M+NH4]+ 368.23325 193.6
[M+K]+ 389.16259 190.1
[M-H]- 349.19215 189.9
[M+Na-2H]- 371.17410 189.8
[M]+ 350.19888 188.7
[M]- 350.19998 188.7
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