CID 32554

(+-)-endo-n,n'-bis(p-phenylbenzyl)-2-bornanamine hydrochloride

Structural Information

Molecular Formula
C36H39N
SMILES
CC1(C2CCC1(C(C2)N(CC3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)C6=CC=CC=C6)C)C
InChI
InChI=1S/C36H39N/c1-35(2)33-22-23-36(35,3)34(24-33)37(25-27-14-18-31(19-15-27)29-10-6-4-7-11-29)26-28-16-20-32(21-17-28)30-12-8-5-9-13-30/h4-21,33-34H,22-26H2,1-3H3
InChIKey
RJQMJVBLLNYXJD-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-N,N-bis[(4-phenylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.30826 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.31554 226.3
[M+Na]+ 508.29748 241.8
[M+NH4]+ 503.34208 239.6
[M+K]+ 524.27142 228.9
[M-H]- 484.30098 238.3
[M+Na-2H]- 506.28293 239.3
[M]+ 485.30771 232.7
[M]- 485.30881 232.7
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.