CID 204924

Brn 2781835

Structural Information

Molecular Formula
C26H42N2O2
SMILES
CCN(CC)CCN(CC)CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C
InChI
InChI=1S/C26H42N2O2/c1-7-27(8-2)17-18-28(9-3)19-21-22-15-16-26(6,25(22,4)5)23(21)30-24(29)20-13-11-10-12-14-20/h10-14,21-23H,7-9,15-19H2,1-6H3
InChIKey
ZOYFVXGOEXFNQT-UHFFFAOYSA-N
Compound name
[3-[[2-(diethylamino)ethyl-ethylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.32462 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.33190 207.7
[M+Na]+ 437.31384 210.5
[M-H]- 413.31734 214.9
[M+NH4]+ 432.35844 227.9
[M+K]+ 453.28778 208.0
[M+H-H2O]+ 397.32188 201.2
[M+HCOO]- 459.32282 227.1
[M+CH3COO]- 473.33847 239.7
[M+Na-2H]- 435.29929 204.4
[M]+ 414.32407 213.0
[M]- 414.32517 213.0
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.