CID 205775

Acetonitrile, n-methyl-n-((2-methyldiphenylmethoxy)ethyl)amino-, hydrochloride

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)CC#N
InChI
InChI=1S/C19H22N2O/c1-16-8-6-7-11-18(16)19(17-9-4-3-5-10-17)22-15-14-21(2)13-12-20/h3-11,19H,13-15H2,1-2H3
InChIKey
FDYKSENDJZCXDF-UHFFFAOYSA-N
Compound name
2-[methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 175.1
[M+Na]+ 317.16244 182.0
[M-H]- 293.16594 180.6
[M+NH4]+ 312.20704 188.5
[M+K]+ 333.13638 177.1
[M+H-H2O]+ 277.17048 159.8
[M+HCOO]- 339.17142 194.5
[M+CH3COO]- 353.18707 219.6
[M+Na-2H]- 315.14789 177.2
[M]+ 294.17267 171.8
[M]- 294.17377 171.8
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.