CID 16076724

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

Structural Information

Molecular Formula
C23H38N2
SMILES
CCCCN(CCNC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C23H38N2/c1-4-5-14-25(18-19-9-7-6-8-10-19)15-13-24-17-20-11-12-21-16-22(20)23(21,2)3/h6-10,20-22,24H,4-5,11-18H2,1-3H3/t20-,21-,22-/m0/s1
InChIKey
MXLVOSYLOMLVTQ-FKBYEOEOSA-N
Compound name
N'-benzyl-N'-butyl-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

342.3035 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.31078 200.6
[M+Na]+ 365.29272 200.1
[M-H]- 341.29622 201.6
[M+NH4]+ 360.33732 213.3
[M+K]+ 381.26666 199.3
[M+H-H2O]+ 325.30076 187.3
[M+HCOO]- 387.30170 212.8
[M+CH3COO]- 401.31735 230.0
[M+Na-2H]- 363.27817 204.7
[M]+ 342.30295 212.1
[M]- 342.30405 212.1
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.