CID 48116

9,10-dihydro-9-anthroic acid 2-(dibutylamino)ethyl ester hydrochloride

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]+ 380.25841 197.4
[M+Na]+ 402.24035 200.2
[M-H]- 378.24385 201.8
[M+NH4]+ 397.28495 211.2
[M+K]+ 418.21429 195.7
[M+H-H2O]+ 362.24839 187.8
[M+HCOO]- 424.24933 215.5
[M+CH3COO]- 438.26498 228.5
[M+Na-2H]- 400.22580 199.1
[M]+ 379.25058 201.2
[M]- 379.25168 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.