CID 6482262

1,2-ethanediamine, n-(2,2-diphenylethyl)-n'-[[(1s,2r,3s,5s)-3,6,6-trimethylbicyclo[3.1.1]hept-2-yl]methyl]-

Structural Information

Molecular Formula
C27H38N2
SMILES
C[C@H]1C[C@H]2C[C@@H]([C@@H]1CNCCNCC(C3=CC=CC=C3)C4=CC=CC=C4)C2(C)C
InChI
InChI=1S/C27H38N2/c1-20-16-23-17-26(27(23,2)3)24(20)18-28-14-15-29-19-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23-26,28-29H,14-19H2,1-3H3/t20-,23-,24+,26-/m0/s1
InChIKey
DLEXFWSBNCPYRI-WBWGFTFRSA-N
Compound name
N'-(2,2-diphenylethyl)-N-[[(1S,2R,3S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.3035 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.31078 209.8
[M+Na]+ 413.29272 209.5
[M-H]- 389.29622 212.5
[M+NH4]+ 408.33732 219.7
[M+K]+ 429.26666 206.9
[M+H-H2O]+ 373.30076 194.9
[M+HCOO]- 435.30170 220.6
[M+CH3COO]- 449.31735 214.9
[M+Na-2H]- 411.27817 213.3
[M]+ 390.30295 218.8
[M]- 390.30405 218.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.