CID 16076526

N-[2-(2,5-dimethoxyphenyl)ethyl]-n'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C22H36N2O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NCCNCCC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C22H36N2O2/c1-21(2)17-8-10-22(21,3)20(15-17)24-13-12-23-11-9-16-14-18(25-4)6-7-19(16)26-5/h6-7,14,17,20,23-24H,8-13,15H2,1-5H3/t17-,20+,22+/m1/s1
InChIKey
ORGVEFURMFXPTM-AGHHOFFYSA-N
Compound name
N-[2-(2,5-dimethoxyphenyl)ethyl]-N'-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.27768 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28496 187.6
[M+Na]+ 383.26690 193.0
[M-H]- 359.27040 193.2
[M+NH4]+ 378.31150 209.4
[M+K]+ 399.24084 188.6
[M+H-H2O]+ 343.27494 181.9
[M+HCOO]- 405.27588 208.4
[M+CH3COO]- 419.29153 223.4
[M+Na-2H]- 381.25235 188.8
[M]+ 360.27713 191.2
[M]- 360.27823 191.2
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.