CID 3038603

Sir 114

Structural Information

Molecular Formula
C22H22ClN
SMILES
CN(C)C1CCC2(C=C1)C3=CC=CC=C3C=CC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C22H22ClN/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/h3-11,13,15,19H,12,14H2,1-2H3
InChIKey
FZXSXMYFIZKXPT-UHFFFAOYSA-N
Compound name
5'-chloro-N,N-dimethylspiro[cyclohex-2-ene-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

1
References

2
Patents

335.14407 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15135 178.0
[M+Na]+ 358.13329 192.8
[M+NH4]+ 353.17789 189.9
[M+K]+ 374.10723 181.7
[M-H]- 334.13679 185.1
[M+Na-2H]- 356.11874 187.8
[M]+ 335.14352 183.0
[M]- 335.14462 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe