CID 3038605

Sir 118

Structural Information

Molecular Formula
C22H24ClN
SMILES
CN(C)C1CCC2(CC1)C3=CC=CC=C3C=CC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-10,15,19H,11-14H2,1-2H3
InChIKey
IQAKADCDEIVYOT-UHFFFAOYSA-N
Compound name
5'-chloro-N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.15973 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16701 179.0
[M+Na]+ 360.14895 192.9
[M+NH4]+ 355.19355 190.8
[M+K]+ 376.12289 182.0
[M-H]- 336.15245 185.8
[M+Na-2H]- 358.13440 187.9
[M]+ 337.15918 183.7
[M]- 337.16028 183.7
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