CID 6478441

N-(2,2-diphenylethyl)-n'-(r)-(+)-bornylethane-1,2-diamine

Structural Information

Molecular Formula
C26H36N2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NCCNCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H36N2/c1-25(2)22-14-15-26(25,3)24(18-22)28-17-16-27-19-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-24,27-28H,14-19H2,1-3H3/t22-,24+,26+/m1/s1
InChIKey
ZENCNIUARXQJLZ-CWDLOFLHSA-N
Compound name
N-(2,2-diphenylethyl)-N'-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 195.1
[M+Na]+ 399.27706 198.3
[M-H]- 375.28056 203.2
[M+NH4]+ 394.32166 215.1
[M+K]+ 415.25100 191.7
[M+H-H2O]+ 359.28510 186.9
[M+HCOO]- 421.28604 214.7
[M+CH3COO]- 435.30169 203.9
[M+Na-2H]- 397.26251 195.3
[M]+ 376.28729 193.2
[M]- 376.28839 193.2
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.