CID 3046274

1-piperazinepropionitrile, 4-(2-(diphenylmethoxy)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H27N3O
SMILES
C1CN(CCN1CCC#N)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27N3O/c23-12-7-13-24-14-16-25(17-15-24)18-19-26-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22H,7,13-19H2
InChIKey
OGBCRPVURIYIAJ-UHFFFAOYSA-N
Compound name
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 183.8
[M+Na]+ 372.20464 188.3
[M-H]- 348.20814 186.2
[M+NH4]+ 367.24924 191.3
[M+K]+ 388.17858 180.4
[M+H-H2O]+ 332.21268 165.5
[M+HCOO]- 394.21362 195.5
[M+CH3COO]- 408.22927 189.7
[M+Na-2H]- 370.19009 184.8
[M]+ 349.21487 175.3
[M]- 349.21597 175.3
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.