CID 3043107

1-(2-propynyl)-4-((6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)methyl)piperazine dimaleate

Structural Information

Molecular Formula
C19H26N2
SMILES
C#CCN1CCN(CC1)CC2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C19H26N2/c1-2-10-20-11-13-21(14-12-20)16-17-8-9-18-6-4-3-5-7-19(18)15-17/h1,8-9,15H,3-7,10-14,16H2
InChIKey
XRWVOBXEVLDZDT-UHFFFAOYSA-N
Compound name
1-prop-2-ynyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 174.7
[M+Na]+ 305.19882 184.9
[M+NH4]+ 300.24342 179.2
[M+K]+ 321.17276 174.7
[M-H]- 281.20232 170.7
[M+Na-2H]- 303.18427 176.9
[M]+ 282.20905 174.3
[M]- 282.21015 174.3
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.