CID 204901

Brn 2785759

Structural Information

Molecular Formula
C31H43NO2
SMILES
CC(C)N(CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)(C2(C)C)C)C(C)C
InChI
InChI=1S/C31H43NO2/c1-21(2)32(22(3)4)20-25-26-18-19-31(7,30(26,5)6)28(25)34-29(33)27(23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-28H,18-20H2,1-7H3
InChIKey
HUZSVIDZCNIJKM-UHFFFAOYSA-N
Compound name
[3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.32938 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.33666 221.6
[M+Na]+ 484.31860 223.2
[M-H]- 460.32210 230.6
[M+NH4]+ 479.36320 238.8
[M+K]+ 500.29254 219.7
[M+H-H2O]+ 444.32664 214.4
[M+HCOO]- 506.32758 236.1
[M+CH3COO]- 520.34323 244.2
[M+Na-2H]- 482.30405 214.1
[M]+ 461.32883 223.7
[M]- 461.32993 223.7
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.