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 230.5
[M-H]- 484.30098 241.5
[M+NH4]+ 503.34208 241.6
[M+K]+ 524.27142 222.0
[M+H-H2O]+ 468.30552 213.9
[M+HCOO]- 530.30646 244.9
[M+CH3COO]- 544.32211 233.9
[M+Na-2H]- 506.28293 222.1
[M]+ 485.30771 225.0
[M]- 485.30881 225.0
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.