CID 385007

Nsc675860

Structural Information

Molecular Formula
C20H20ClNO
SMILES
C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3Cl)O
InChI
InChI=1S/C20H20ClNO/c21-19-12-5-4-11-18(19)20(23,17-9-2-1-3-10-17)13-8-16-22-14-6-7-15-22/h1-5,9-12,23H,6-7,14-16H2
InChIKey
FUERHIFBDWTBRC-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.12335 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13063 184.6
[M+Na]+ 348.11257 193.3
[M-H]- 324.11607 187.6
[M+NH4]+ 343.15717 196.7
[M+K]+ 364.08651 182.4
[M+H-H2O]+ 308.12061 170.0
[M+HCOO]- 370.12155 192.2
[M+CH3COO]- 384.13720 192.0
[M+Na-2H]- 346.09802 184.4
[M]+ 325.12280 176.7
[M]- 325.12390 176.7
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.