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 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

No literature data available for this compound.

Patent stripe

patents stripe