CID 3043093

55037-73-5

Structural Information

Molecular Formula
C23H29ClN2
SMILES
C1CCC2=C(CC1)C=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H29ClN2/c24-23-10-7-19(8-11-23)17-25-12-14-26(15-13-25)18-20-6-9-21-4-2-1-3-5-22(21)16-20/h6-11,16H,1-5,12-15,17-18H2
InChIKey
JCAWKYOVIAUXHX-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-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

368.20193 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20921 194.3
[M+Na]+ 391.19115 207.7
[M+NH4]+ 386.23575 203.0
[M+K]+ 407.16509 197.9
[M-H]- 367.19465 200.7
[M+Na-2H]- 389.17660 201.9
[M]+ 368.20138 198.5
[M]- 368.20248 198.5
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.