CID 16076727

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

Structural Information

Molecular Formula
C22H36N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCCCC3=CC=CC=C3)C
InChI
InChI=1S/C22H36N2/c1-22(2)20-12-11-19(21(22)16-20)17-24-15-14-23-13-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,19-21,23-24H,6-7,10-17H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey
KLVWWPPSGIOTRD-ACRUOGEOSA-N
Compound name
N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-(4-phenylbutyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.28784 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29512 193.6
[M+Na]+ 351.27706 193.7
[M-H]- 327.28056 193.6
[M+NH4]+ 346.32166 206.5
[M+K]+ 367.25100 191.8
[M+H-H2O]+ 311.28510 180.8
[M+HCOO]- 373.28604 205.9
[M+CH3COO]- 387.30169 224.1
[M+Na-2H]- 349.26251 199.3
[M]+ 328.28729 203.9
[M]- 328.28839 203.9
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.