CID 16076762

N'-[1-(1-naphthyl)ethyl]-n-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C24H34N2
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCNC(C)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H34N2/c1-16-22-14-19(24(22,3)4)15-23(16)26-13-12-25-17(2)20-11-7-9-18-8-5-6-10-21(18)20/h5-11,16-17,19,22-23,25-26H,12-15H2,1-4H3/t16-,17?,19+,22-,23-/m1/s1
InChIKey
UHRORQFRSWWLKD-OYFJEQRESA-N
Compound name
N'-(1-naphthalen-1-ylethyl)-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]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 199.8
[M+Na]+ 373.26142 201.3
[M-H]- 349.26492 201.1
[M+NH4]+ 368.30602 212.6
[M+K]+ 389.23536 199.2
[M+H-H2O]+ 333.26946 186.1
[M+HCOO]- 395.27040 209.6
[M+CH3COO]- 409.28605 205.9
[M+Na-2H]- 371.24687 204.3
[M]+ 350.27165 209.1
[M]- 350.27275 209.1
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.