CID 3006128

Schembl3763905

Structural Information

Molecular Formula
C26H36N2
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCNCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H36N2/c1-19-24-16-22(26(24,2)3)17-25(19)28-15-14-27-18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,22-25,27-28H,14-18H2,1-3H3/t19-,22+,24-,25-/m1/s1
InChIKey
USPJQCFSNINIBM-DZTZBPHFSA-N
Compound name
N-(2,2-diphenylethyl)-N'-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

376.28784 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.29512 205.3
[M+Na]+ 399.27706 205.5
[M-H]- 375.28056 208.3
[M+NH4]+ 394.32166 215.8
[M+K]+ 415.25100 203.1
[M+H-H2O]+ 359.28510 190.6
[M+HCOO]- 421.28604 216.5
[M+CH3COO]- 435.30169 210.9
[M+Na-2H]- 397.26251 209.3
[M]+ 376.28729 214.0
[M]- 376.28839 214.0
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.