CID 16076720

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

Structural Information

Molecular Formula
C18H35N3O
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCN3CCOCC3)C
InChI
InChI=1S/C18H35N3O/c1-18(2)16-4-3-15(17(18)13-16)14-20-6-5-19-7-8-21-9-11-22-12-10-21/h15-17,19-20H,3-14H2,1-2H3/t15-,16-,17-/m0/s1
InChIKey
WXAQDJQXIQMODA-ULQDDVLXSA-N
Compound name
N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.28528 182.8
[M+Na]+ 332.26722 181.5
[M-H]- 308.27072 181.5
[M+NH4]+ 327.31182 193.6
[M+K]+ 348.24116 182.8
[M+H-H2O]+ 292.27526 169.6
[M+HCOO]- 354.27620 190.3
[M+CH3COO]- 368.29185 218.5
[M+Na-2H]- 330.25267 188.9
[M]+ 309.27745 190.3
[M]- 309.27855 190.3
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.