CID 3039881

51359-94-5

Structural Information

Molecular Formula
C22H24ClN
SMILES
CN(C)C1CCC2(C=C1)C3=CC=CC=C3CCC4=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/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
InChIKey
QPNVVIACYJVUOX-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),4,6,11,13-hexaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

337.15973 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16701 180.3
[M+Na]+ 360.14895 187.7
[M-H]- 336.15245 189.0
[M+NH4]+ 355.19355 198.7
[M+K]+ 376.12289 184.4
[M+H-H2O]+ 320.15699 173.5
[M+HCOO]- 382.15793 194.0
[M+CH3COO]- 396.17358 190.6
[M+Na-2H]- 358.13440 184.9
[M]+ 337.15918 177.2
[M]- 337.16028 177.2
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