CID 3040019

51490-57-4

Structural Information

Molecular Formula
C23H30N2
SMILES
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC4=C(CCCCC4)C=C3
InChI
InChI=1S/C23H30N2/c1-24-14-16-25(17-15-24)23(20-9-5-3-6-10-20)22-13-12-19-8-4-2-7-11-21(19)18-22/h3,5-6,9-10,12-13,18,23H,2,4,7-8,11,14-17H2,1H3
InChIKey
VGKADWLRJBGEPG-UHFFFAOYSA-N
Compound name
1-methyl-4-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.248176 184.1
[M+Na]+ 357.230118 185.2
[M-H]- 333.233624 190.4
[M+NH4]+ 352.274723 194.2
[M+K]+ 373.204058 182.9
[M+H-H2O]+ 317.238160 173.5
[M+HCOO]- 379.239101 195.4
[M+CH3COO]- 393.254751 190.9
[M+Na-2H]- 355.215566 184.6
[M]+ 334.24035142 173.5
[M]- 334.24144858 173.5
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.