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
3
Annotation Hits

1
References

1441
Patents

378.23074 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 195.3
[M+Na]+ 401.21996 207.6
[M+NH4]+ 396.26456 202.8
[M+K]+ 417.19390 197.6
[M-H]- 377.22346 199.6
[M+Na-2H]- 399.20541 199.3
[M]+ 378.23019 198.1
[M]- 378.23129 198.1
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