CID 204900

Brn 2787250

Structural Information

Molecular Formula
C31H43NO2
SMILES
CCCN(CCC)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)(C2(C)C)C
InChI
InChI=1S/C31H43NO2/c1-6-20-32(21-7-2)22-25-26-18-19-31(5,30(26,3)4)28(25)34-29(33)27(23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,25-28H,6-7,18-22H2,1-5H3
InChIKey
RSOPEVIGZOBWRO-UHFFFAOYSA-N
Compound name
[3-[(dipropylamino)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

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.33666 222.2
[M+Na]+ 484.31860 224.5
[M-H]- 460.32210 231.1
[M+NH4]+ 479.36320 239.5
[M+K]+ 500.29254 219.6
[M+H-H2O]+ 444.32664 214.0
[M+HCOO]- 506.32758 238.7
[M+CH3COO]- 520.34323 242.4
[M+Na-2H]- 482.30405 216.7
[M]+ 461.32883 225.4
[M]- 461.32993 225.4
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.