CID 201083

4-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)morpholine oxalate (1:1)

Structural Information

Molecular Formula
C24H33NO3
SMILES
C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)COCCN4CCOCC4
InChI
InChI=1S/C24H33NO3/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-13-28-23)19-27-16-12-25-10-14-26-15-11-25/h1-3,5-7,9,20,23H,4,8,10-19H2
InChIKey
CXRMJOJDXWUHDH-UHFFFAOYSA-N
Compound name
4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 195.3
[M+Na]+ 406.23525 195.4
[M-H]- 382.23875 202.7
[M+NH4]+ 401.27985 204.1
[M+K]+ 422.20919 193.1
[M+H-H2O]+ 366.24329 184.9
[M+HCOO]- 428.24423 207.1
[M+CH3COO]- 442.25988 202.2
[M+Na-2H]- 404.22070 194.4
[M]+ 383.24548 192.8
[M]- 383.24658 192.8
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.