CID 513043

N-(4-chlorophenyl)spiro[adamantane-2,2'-pyrrolidine]-1'-carboxamide

Structural Information

Molecular Formula
C20H25ClN2O
SMILES
C1CC2(C3CC4CC(C3)CC2C4)N(C1)C(=O)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C20H25ClN2O/c21-17-2-4-18(5-3-17)22-19(24)23-7-1-6-20(23)15-9-13-8-14(11-15)12-16(20)10-13/h2-5,13-16H,1,6-12H2,(H,22,24)
InChIKey
GQFGGBPSBFIKSB-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)spiro[adamantane-2,2'-pyrrolidine]-1'-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.16553 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17281 175.9
[M+Na]+ 367.15475 177.5
[M-H]- 343.15825 175.0
[M+NH4]+ 362.19935 196.9
[M+K]+ 383.12869 171.1
[M+H-H2O]+ 327.16279 167.1
[M+HCOO]- 389.16373 176.6
[M+CH3COO]- 403.17938 182.3
[M+Na-2H]- 365.14020 180.4
[M]+ 344.16498 174.3
[M]- 344.16608 174.3
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.