CID 28385

9,10-dihydro-9-(2-(dimethylamino)ethoxy)-9,10-propanoanthracene hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
CN(C)CCOC12CCCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C21H25NO/c1-22(2)14-15-23-21-13-7-10-16(17-8-3-5-11-19(17)21)18-9-4-6-12-20(18)21/h3-6,8-9,11-12,16H,7,10,13-15H2,1-2H3
InChIKey
NPLOBMHSFIWOJL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 182.6
[M+Na]+ 330.182818 190.4
[M-H]- 306.186324 189.1
[M+NH4]+ 325.227423 202.2
[M+K]+ 346.156758 186.1
[M+H-H2O]+ 290.190860 181.3
[M+HCOO]- 352.191801 196.0
[M+CH3COO]- 366.207451 191.6
[M+Na-2H]- 328.168266 190.8
[M]+ 307.19305142 183.8
[M]- 307.19414858 183.8
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.