CID 48116

66827-80-3

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCCCN(CCCC)CCOC(=O)C1C2=CC=CC=C2CC3=CC=CC=C13
InChI
InChI=1S/C25H33NO2/c1-3-5-15-26(16-6-4-2)17-18-28-25(27)24-22-13-9-7-11-20(22)19-21-12-8-10-14-23(21)24/h7-14,24H,3-6,15-19H2,1-2H3
InChIKey
HQTWFVNHZKQEOS-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 9,10-dihydroanthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.258406 197.4
[M+Na]+ 402.240348 200.2
[M-H]- 378.243854 201.8
[M+NH4]+ 397.284953 211.2
[M+K]+ 418.214288 195.7
[M+H-H2O]+ 362.248390 187.8
[M+HCOO]- 424.249331 215.5
[M+CH3COO]- 438.264981 228.5
[M+Na-2H]- 400.225796 199.1
[M]+ 379.25058142 201.2
[M]- 379.25167858 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.