CID 6434973

3-chloro-beta,n,n-trimethyl-5h-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine

Structural Information

Molecular Formula
C21H24ClN
SMILES
CC(CN(C)C)/C=C/1\C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C21H24ClN/c1-15(14-23(2)3)12-21-19-7-5-4-6-16(19)8-9-17-10-11-18(22)13-20(17)21/h4-7,10-13,15H,8-9,14H2,1-3H3/b21-12+
InChIKey
PZRZUFDKOVASHO-CIAFOILYSA-N
Compound name
(3E)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15973 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16701 176.1
[M+Na]+ 348.14895 182.9
[M-H]- 324.15245 183.0
[M+NH4]+ 343.19355 193.2
[M+K]+ 364.12289 180.8
[M+H-H2O]+ 308.15699 170.8
[M+HCOO]- 370.15793 191.0
[M+CH3COO]- 384.17358 186.7
[M+Na-2H]- 346.13440 178.9
[M]+ 325.15918 175.8
[M]- 325.16028 175.8
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.