CID 3040002

2-(4-propargylpiperazino)-6,7,8,9-tetrahydro-5h-benzocycloheptene maleate

Structural Information

Molecular Formula
C18H24N2
SMILES
C#CCN1CCN(CC1)C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C18H24N2/c1-2-10-19-11-13-20(14-12-19)18-9-8-16-6-4-3-5-7-17(16)15-18/h1,8-9,15H,3-7,10-14H2
InChIKey
YDDRBAOOXFFCRI-UHFFFAOYSA-N
Compound name
1-prop-2-ynyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 160.8
[M+Na]+ 291.18316 166.4
[M-H]- 267.18666 162.5
[M+NH4]+ 286.22776 172.4
[M+K]+ 307.15710 161.3
[M+H-H2O]+ 251.19120 146.3
[M+HCOO]- 313.19214 168.9
[M+CH3COO]- 327.20779 167.9
[M+Na-2H]- 289.16861 162.3
[M]+ 268.19339 147.0
[M]- 268.19449 147.0
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.