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]+ 306.185256 177.6
[M+Na]+ 328.167198 184.0
[M-H]- 304.170704 181.1
[M+NH4]+ 323.211803 189.8
[M+K]+ 344.141138 175.0
[M+H-H2O]+ 288.175240 161.6
[M+HCOO]- 350.176181 191.0
[M+CH3COO]- 364.191831 185.1
[M+Na-2H]- 326.152646 177.0
[M]+ 305.17743142 169.2
[M]- 305.17852858 169.2
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.