CID 3062721

Benzenemethanamine, n-(4-(2-(diethylamino)ethoxy)phenyl)-3,4,5-trimethoxy-, dihydrochloride

Structural Information

Molecular Formula
C22H32N2O4
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H32N2O4/c1-6-24(7-2)12-13-28-19-10-8-18(9-11-19)23-16-17-14-20(25-3)22(27-5)21(15-17)26-4/h8-11,14-15,23H,6-7,12-13,16H2,1-5H3
InChIKey
PZTVSOUKGMXXQJ-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.2362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24348 196.7
[M+Na]+ 411.22542 201.2
[M-H]- 387.22892 204.2
[M+NH4]+ 406.27002 208.4
[M+K]+ 427.19936 199.6
[M+H-H2O]+ 371.23346 186.5
[M+HCOO]- 433.23440 221.5
[M+CH3COO]- 447.25005 232.1
[M+Na-2H]- 409.21087 197.7
[M]+ 388.23565 205.5
[M]- 388.23675 205.5
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.