CID 22074

Bis-(5-dimethylaminomethyl-2-methoxyphenyl)methane dihydrochloride

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CN(C)CC1=CC(=C(C=C1)OC)CC2=C(C=CC(=C2)CN(C)C)OC
InChI
InChI=1S/C21H30N2O2/c1-22(2)14-16-7-9-20(24-5)18(11-16)13-19-12-17(15-23(3)4)8-10-21(19)25-6/h7-12H,13-15H2,1-6H3
InChIKey
RYGQNBPOOOXYLO-UHFFFAOYSA-N
Compound name
1-[3-[[5-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-4-methoxyphenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 186.6
[M+Na]+ 365.21996 192.2
[M-H]- 341.22346 195.9
[M+NH4]+ 360.26456 201.2
[M+K]+ 381.19390 190.7
[M+H-H2O]+ 325.22800 177.0
[M+HCOO]- 387.22894 211.9
[M+CH3COO]- 401.24459 228.3
[M+Na-2H]- 363.20541 187.1
[M]+ 342.23019 193.6
[M]- 342.23129 193.6
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.