CID 3066057

2-(1,1'-biphenyl)-4-yl-2,4-dimethylmorpholine hydrochloride

Structural Information

Molecular Formula
C18H21NO
SMILES
CC1(CN(CCO1)C)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-18(14-19(2)12-13-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKey
XKYBXNKVUPZXHV-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-(4-phenylphenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.2
[M+Na]+ 290.15154 170.4
[M-H]- 266.15504 172.6
[M+NH4]+ 285.19614 179.5
[M+K]+ 306.12548 167.2
[M+H-H2O]+ 250.15958 154.7
[M+HCOO]- 312.16052 182.3
[M+CH3COO]- 326.17617 175.4
[M+Na-2H]- 288.13699 169.6
[M]+ 267.16177 161.2
[M]- 267.16287 161.2
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.