CID 16076723

N-[(3,4-dimethoxyphenyl)methyl]-n'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCC3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C21H34N2O2/c1-21(2)17-7-6-16(18(21)12-17)14-23-10-9-22-13-15-5-8-19(24-3)20(11-15)25-4/h5,8,11,16-18,22-23H,6-7,9-10,12-14H2,1-4H3/t16-,17-,18-/m0/s1
InChIKey
XFJDZHYJKQETRS-BZSNNMDCSA-N
Compound name
N'-[(3,4-dimethoxyphenyl)methyl]-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 196.8
[M+Na]+ 369.25124 198.3
[M-H]- 345.25474 197.4
[M+NH4]+ 364.29584 209.2
[M+K]+ 385.22518 198.3
[M+H-H2O]+ 329.25928 184.3
[M+HCOO]- 391.26022 209.4
[M+CH3COO]- 405.27587 227.6
[M+Na-2H]- 367.23669 202.0
[M]+ 346.26147 210.3
[M]- 346.26257 210.3
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.