CID 16076238

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

Structural Information

Molecular Formula
C23H40N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCC34CC5CC(C3)CC(C5)C4)C
InChI
InChI=1S/C23H40N2/c1-22(2)20-4-3-19(21(22)10-20)14-24-5-6-25-15-23-11-16-7-17(12-23)9-18(8-16)13-23/h16-21,24-25H,3-15H2,1-2H3/t16?,17?,18?,19-,20-,21-,23?/m0/s1
InChIKey
GUHZJNGCNHXYDG-CXAXIXHWSA-N
Compound name
N'-(1-adamantylmethyl)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.31915 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.32643 204.8
[M+Na]+ 367.30837 199.1
[M-H]- 343.31187 196.8
[M+NH4]+ 362.35297 220.9
[M+K]+ 383.28231 196.0
[M+H-H2O]+ 327.31641 188.8
[M+HCOO]- 389.31735 199.4
[M+CH3COO]- 403.33300 205.0
[M+Na-2H]- 365.29382 209.7
[M]+ 344.31860 210.0
[M]- 344.31970 210.0
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.