CID 504266

Nsc722039

Structural Information

Molecular Formula
C26H36N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCC(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H36N2/c1-26(2)23-14-13-22(25(26)17-23)18-27-15-16-28-19-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22-25,27-28H,13-19H2,1-2H3/t22-,23-,25-/m0/s1
InChIKey
KSCNTPLQWNRUME-LSQMVHIFSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-(2,2-diphenylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

376.28784 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.29512 203.5
[M+Na]+ 399.27706 202.8
[M-H]- 375.28056 206.1
[M+NH4]+ 394.32166 213.7
[M+K]+ 415.25100 200.3
[M+H-H2O]+ 359.28510 188.6
[M+HCOO]- 421.28604 214.7
[M+CH3COO]- 435.30169 208.8
[M+Na-2H]- 397.26251 208.3
[M]+ 376.28729 211.8
[M]- 376.28839 211.8
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.