CID 19171

22725-40-2

Structural Information

Molecular Formula
C20H24ClN
SMILES
CN(C)CCCC1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN/c1-22(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(21)14-20(16)19/h3-4,6-7,11-12,14,19H,5,8-10,13H2,1-2H3
InChIKey
QWPRVBPBGKAFAL-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

313.15973 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16701 173.1
[M+Na]+ 336.14895 180.2
[M-H]- 312.15245 180.0
[M+NH4]+ 331.19355 190.7
[M+K]+ 352.12289 178.3
[M+H-H2O]+ 296.15699 167.6
[M+HCOO]- 358.15793 189.1
[M+CH3COO]- 372.17358 184.1
[M+Na-2H]- 334.13440 177.4
[M]+ 313.15918 173.7
[M]- 313.16028 173.7
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

patents stripe