CID 3766139

Solvent blue 35

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₂

SMILES

CCCCNC1=C2C(=C(C=C1)NCCCC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3

InChIKey

OCQDPIXQTSYZJL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5659
Patents: 350.19943 Da
Monoisotopic Mass: 6.4
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]+	351.206706	184.4
[M+Na]+	373.188648	190.9
[M-H]-	349.192154	189.0
[M+NH4]+	368.233253	199.4
[M+K]+	389.162588	184.9
[M+H-H2O]+	333.196690	175.9
[M+HCOO]-	395.197631	205.2
[M+CH3COO]-	409.213281	224.4
[M+Na-2H]-	371.174096	188.4
[M]+	350.19888142	186.7
[M]-	350.19997858	186.7

Literature stripe

literature stripe

Patent stripe

patents stripe