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]+ 268.169596 164.2
[M+Na]+ 290.151538 170.4
[M-H]- 266.155044 172.6
[M+NH4]+ 285.196143 179.5
[M+K]+ 306.125478 167.2
[M+H-H2O]+ 250.159580 154.7
[M+HCOO]- 312.160521 182.3
[M+CH3COO]- 326.176171 175.4
[M+Na-2H]- 288.136986 169.6
[M]+ 267.16177142 161.2
[M]- 267.16286858 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.