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 177.6
[M+Na]+ 328.16720 184.0
[M-H]- 304.17070 181.1
[M+NH4]+ 323.21180 189.8
[M+K]+ 344.14114 175.0
[M+H-H2O]+ 288.17524 161.6
[M+HCOO]- 350.17618 191.0
[M+CH3COO]- 364.19183 185.1
[M+Na-2H]- 326.15265 177.0
[M]+ 305.17743 169.2
[M]- 305.17853 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.