CID 16076732

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

Structural Information

Molecular Formula
C24H34N2
SMILES
CC(C1=CC=CC2=CC=CC=C21)NCCNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C
InChI
InChI=1S/C24H34N2/c1-17(21-10-6-8-18-7-4-5-9-22(18)21)26-14-13-25-16-19-11-12-20-15-23(19)24(20,2)3/h4-10,17,19-20,23,25-26H,11-16H2,1-3H3/t17?,19-,20-,23-/m0/s1
InChIKey
LZMLINVTEQJLRZ-CPHXCCFQSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-(1-naphthalen-1-ylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2722 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27948 198.0
[M+Na]+ 373.26142 198.7
[M-H]- 349.26492 199.0
[M+NH4]+ 368.30602 210.6
[M+K]+ 389.23536 196.5
[M+H-H2O]+ 333.26946 184.1
[M+HCOO]- 395.27040 208.0
[M+CH3COO]- 409.28605 203.9
[M+Na-2H]- 371.24687 203.3
[M]+ 350.27165 207.0
[M]- 350.27275 207.0
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.