CID 16076467

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

Structural Information

Molecular Formula
C23H46N2
SMILES
CCCCCCCCCCCNCCNC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C23H46N2/c1-4-5-6-7-8-9-10-11-12-15-24-16-17-25-19-20-13-14-21-18-22(20)23(21,2)3/h20-22,24-25H,4-19H2,1-3H3/t20-,21-,22-/m0/s1
InChIKey
YZNVKFWTJRJBSW-FKBYEOEOSA-N
Compound name
N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-undecylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.3661 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.37338 209.4
[M+Na]+ 373.35532 207.4
[M-H]- 349.35882 205.4
[M+NH4]+ 368.39992 221.6
[M+K]+ 389.32926 205.8
[M+H-H2O]+ 333.36336 197.7
[M+HCOO]- 395.36430 219.4
[M+CH3COO]- 409.37995 231.2
[M+Na-2H]- 371.34077 211.7
[M]+ 350.36555 222.2
[M]- 350.36665 222.2
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.