CID 202830

9,10-dihydro-11-(2-morpholinoethoxy)methyl-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C23H27NO2
SMILES
C1COCCN1CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C23H27NO2/c1-3-7-20-18(5-1)22-15-17(23(20)21-8-4-2-6-19(21)22)16-26-14-11-24-9-12-25-13-10-24/h1-8,17,22-23H,9-16H2
InChIKey
ZFTRSBZKXJTMQP-UHFFFAOYSA-N
Compound name
4-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 177.6
[M+Na]+ 372.19342 178.8
[M-H]- 348.19692 180.1
[M+NH4]+ 367.23802 191.5
[M+K]+ 388.16736 174.6
[M+H-H2O]+ 332.20146 165.6
[M+HCOO]- 394.20240 184.2
[M+CH3COO]- 408.21805 184.5
[M+Na-2H]- 370.17887 184.7
[M]+ 349.20365 177.1
[M]- 349.20475 177.1
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.