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]+ 308.20088 182.6
[M+Na]+ 330.18282 190.4
[M-H]- 306.18632 189.1
[M+NH4]+ 325.22742 202.2
[M+K]+ 346.15676 186.1
[M+H-H2O]+ 290.19086 181.3
[M+HCOO]- 352.19180 196.0
[M+CH3COO]- 366.20745 191.6
[M+Na-2H]- 328.16827 190.8
[M]+ 307.19305 183.8
[M]- 307.19415 183.9
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.