CID 204905

Brn 0590344

Structural Information

Molecular Formula
C30H40N2O2
SMILES
CC1(C2CCC1(C(C2CN3CCN(CC3)C)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C
InChI
InChI=1S/C30H40N2O2/c1-29(2)25-15-16-30(29,3)27(24(25)21-32-19-17-31(4)18-20-32)34-28(33)26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,24-27H,15-21H2,1-4H3
InChIKey
RQLWNLILLFVVRA-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.309 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31628 216.7
[M+Na]+ 483.29822 226.9
[M+NH4]+ 478.34282 226.9
[M+K]+ 499.27216 218.8
[M-H]- 459.30172 222.0
[M+Na-2H]- 481.28367 223.1
[M]+ 460.30845 219.9
[M]- 460.30955 219.9
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.