CID 21156126

Dtxsid40888480

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

CCCCCNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H22N2O2/c1-3-4-7-12-22-16-11-10-15(21-2)17-18(16)20(24)14-9-6-5-8-13(14)19(17)23/h5-6,8-11,21-22H,3-4,7,12H2,1-2H3

InChIKey

ILGMFAWJBQYPEG-UHFFFAOYSA-N

Compound name

1-(methylamino)-4-(pentylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 322.16812 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.175396	175.2
[M+Na]+	345.157338	182.7
[M-H]-	321.160844	180.4
[M+NH4]+	340.201943	191.5
[M+K]+	361.131278	177.2
[M+H-H2O]+	305.165380	167.2
[M+HCOO]-	367.166321	196.9
[M+CH3COO]-	381.181971	218.4
[M+Na-2H]-	343.142786	180.3
[M]+	322.16757142	177.0
[M]-	322.16866858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe