CID 6482278

1,2-ethanediamine, n-[2-(2-methoxyphenyl)ethyl]-n'-[[(1s,2r,3s,5s)-3,6,6-trimethylbicyclo[3.1.1]hept-2-yl]methyl]-

Structural Information

Molecular Formula
C22H36N2O
SMILES
C[C@H]1C[C@H]2C[C@@H]([C@@H]1CNCCNCCC3=CC=CC=C3OC)C2(C)C
InChI
InChI=1S/C22H36N2O/c1-16-13-18-14-20(22(18,2)3)19(16)15-24-12-11-23-10-9-17-7-5-6-8-21(17)25-4/h5-8,16,18-20,23-24H,9-15H2,1-4H3/t16-,18-,19+,20-/m0/s1
InChIKey
DUGKRVDITTZJBY-FFGOWVMKSA-N
Compound name
N-[2-(2-methoxyphenyl)ethyl]-N'-[[(1S,2R,3S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.28278 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29006 199.2
[M+Na]+ 367.27200 200.6
[M-H]- 343.27550 199.7
[M+NH4]+ 362.31660 211.8
[M+K]+ 383.24594 199.6
[M+H-H2O]+ 327.28004 186.6
[M+HCOO]- 389.28098 211.3
[M+CH3COO]- 403.29663 228.4
[M+Na-2H]- 365.25745 203.5
[M]+ 344.28223 211.5
[M]- 344.28333 211.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.