CID 216744

37652-63-4

Structural Information

Molecular Formula
C21H24N2
SMILES
C#CCN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C21H24N2/c1-2-12-22-13-15-23(16-14-22)18-21-11-7-6-10-20(21)17-19-8-4-3-5-9-19/h1,3-11H,12-18H2
InChIKey
SNTJCYKAVAVERH-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-4-prop-2-ynylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.201216 174.1
[M+Na]+ 327.183158 181.0
[M-H]- 303.186664 176.1
[M+NH4]+ 322.227763 183.7
[M+K]+ 343.157098 171.4
[M+H-H2O]+ 287.191200 157.1
[M+HCOO]- 349.192141 184.9
[M+CH3COO]- 363.207791 181.1
[M+Na-2H]- 325.168606 175.2
[M]+ 304.19339142 164.1
[M]- 304.19448858 164.1
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.