CID 204923

Brn 2780956

Structural Information

Molecular Formula
C25H40N2O2
SMILES
CCN(CC)CCN(C)CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C
InChI
InChI=1S/C25H40N2O2/c1-7-27(8-2)17-16-26(6)18-20-21-14-15-25(5,24(21,3)4)22(20)29-23(28)19-12-10-9-11-13-19/h9-13,20-22H,7-8,14-18H2,1-6H3
InChIKey
KFXDPIPNZWJVPT-UHFFFAOYSA-N
Compound name
[3-[[2-(diethylamino)ethyl-methylamino]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

400.309 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.31628 203.2
[M+Na]+ 423.29822 206.4
[M-H]- 399.30172 210.7
[M+NH4]+ 418.34282 224.0
[M+K]+ 439.27216 204.2
[M+H-H2O]+ 383.30626 196.9
[M+HCOO]- 445.30720 223.0
[M+CH3COO]- 459.32285 236.8
[M+Na-2H]- 421.28367 200.5
[M]+ 400.30845 208.2
[M]- 400.30955 208.2
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.