CID 3043816

Brn 2903949

Structural Information

Molecular Formula
C23H34N2O2
SMILES
CCN(CC)CCCNC(CC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C23H34N2O2/c1-5-25(6-2)16-10-15-24-21(17-19-11-8-7-9-12-19)20-13-14-22(26-3)23(18-20)27-4/h7-9,11-14,18,21,24H,5-6,10,15-17H2,1-4H3
InChIKey
OCKBIGCEFUVYNH-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.26202 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.26930 195.9
[M+Na]+ 393.25124 198.2
[M-H]- 369.25474 202.5
[M+NH4]+ 388.29584 207.9
[M+K]+ 409.22518 195.3
[M+H-H2O]+ 353.25928 185.7
[M+HCOO]- 415.26022 219.0
[M+CH3COO]- 429.27587 229.3
[M+Na-2H]- 391.23669 196.3
[M]+ 370.26147 200.8
[M]- 370.26257 200.8
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.