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]+ 305.20122 174.1
[M+Na]+ 327.18316 181.0
[M-H]- 303.18666 176.1
[M+NH4]+ 322.22776 183.7
[M+K]+ 343.15710 171.4
[M+H-H2O]+ 287.19120 157.1
[M+HCOO]- 349.19214 184.9
[M+CH3COO]- 363.20779 181.1
[M+Na-2H]- 325.16861 175.2
[M]+ 304.19339 164.1
[M]- 304.19449 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.