CID 75847

Solvent blue 14

Structural Information

Molecular Formula

C₂₄H₃₀N₂O₂

SMILES

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

InChI

InChI=1S/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3

InChIKey

RHGBRYSELHPAFL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1610
Patents: 378.23074 Da
Monoisotopic Mass: 7.5
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]+	379.238016	193.4
[M+Na]+	401.219958	199.0
[M-H]-	377.223464	197.6
[M+NH4]+	396.264563	207.2
[M+K]+	417.193898	192.5
[M+H-H2O]+	361.228000	184.5
[M+HCOO]-	423.228941	213.5
[M+CH3COO]-	437.244591	230.3
[M+Na-2H]-	399.205406	196.3
[M]+	378.23019142	196.4
[M]-	378.23128858	196.4

Literature stripe

literature stripe

Patent stripe

patents stripe