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
2
Annotation Hits

0
References

6100
Patents

350.19943 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 186.2
[M+Na]+ 373.18865 199.0
[M+NH4]+ 368.23325 194.1
[M+K]+ 389.16259 189.5
[M-H]- 349.19215 190.6
[M+Na-2H]- 371.17410 190.8
[M]+ 350.19888 189.2
[M]- 350.19998 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe