CID 17800

Xyloxemine hydrochloride

Structural Information

Molecular Formula
C23H33NO2
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCCOCCN(C)C
InChI
InChI=1S/C23H33NO2/c1-17-9-7-10-18(2)21(17)23(22-19(3)11-8-12-20(22)4)26-16-15-25-14-13-24(5)6/h7-12,23H,13-16H2,1-6H3
InChIKey
KLOZENAJUCRQKD-UHFFFAOYSA-N
Compound name
2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

355.25113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 191.1
[M+Na]+ 378.24035 204.4
[M+NH4]+ 373.28495 198.7
[M+K]+ 394.21429 196.0
[M-H]- 354.24385 196.5
[M+Na-2H]- 376.22580 198.2
[M]+ 355.25058 194.7
[M]- 355.25168 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe