CID 1822661

N-methyl-n-(3-(2-biphenylyloxy)propyl)amine hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CNCCCOC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-17-12-7-13-18-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKey
XKUZHEKJQDWTDB-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-phenylphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 155.9
[M+Na]+ 264.13589 161.7
[M-H]- 240.13939 162.1
[M+NH4]+ 259.18049 172.9
[M+K]+ 280.10983 157.7
[M+H-H2O]+ 224.14393 147.8
[M+HCOO]- 286.14487 180.9
[M+CH3COO]- 300.16052 196.1
[M+Na-2H]- 262.12134 162.5
[M]+ 241.14612 156.7
[M]- 241.14722 156.7
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

patents stripe