CID 201476

Pyrrolidine, 1-(4-(diphenylmethoxy)-2-butynyl)-, hydrochloride

Structural Information

Molecular Formula
C21H23NO
SMILES
C1CCN(C1)CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO/c1-3-11-19(12-4-1)21(20-13-5-2-6-14-20)23-18-10-9-17-22-15-7-8-16-22/h1-6,11-14,21H,7-8,15-18H2
InChIKey
AECOZKRINHWXOI-UHFFFAOYSA-N
Compound name
1-(4-benzhydryloxybut-2-ynyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 179.3
[M+Na]+ 328.16720 191.7
[M+NH4]+ 323.21180 184.2
[M+K]+ 344.14114 181.0
[M-H]- 304.17070 176.3
[M+Na-2H]- 326.15265 184.5
[M]+ 305.17743 179.4
[M]- 305.17853 179.4
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.