CID 16076290

N2-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n1-(3,3-diphenylpropyl)propane-1,2-diamine

Structural Information

Molecular Formula
C28H40N2
SMILES
CC(CNCCC(C1=CC=CC=C1)C2=CC=CC=C2)NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C
InChI
InChI=1S/C28H40N2/c1-21(30-20-24-14-15-25-18-27(24)28(25,2)3)19-29-17-16-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,24-27,29-30H,14-20H2,1-3H3/t21?,24-,25-,27-/m0/s1
InChIKey
TXFWHUJPRSNIHQ-QUCWNPHKSA-N
Compound name
2-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.31915 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32643 215.2
[M+Na]+ 427.30837 213.1
[M-H]- 403.31187 217.3
[M+NH4]+ 422.35297 224.0
[M+K]+ 443.28231 210.9
[M+H-H2O]+ 387.31641 200.0
[M+HCOO]- 449.31735 224.6
[M+CH3COO]- 463.33300 219.3
[M+Na-2H]- 425.29382 217.5
[M]+ 404.31860 223.4
[M]- 404.31970 223.4
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.