CID 3038616

Sir 117

Structural Information

Molecular Formula
C22H26ClN
SMILES
CN(C)C1CCC2(CC1)C3=CC=CC=C3CCC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C22H26ClN/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/h3-6,9-10,15,19H,7-8,11-14H2,1-2H3
InChIKey
NLARUHOUYVKSKO-UHFFFAOYSA-N
Compound name
5'-chloro-N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.17538 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18266 181.0
[M+Na]+ 362.16460 187.4
[M-H]- 338.16810 189.3
[M+NH4]+ 357.20920 199.2
[M+K]+ 378.13854 184.1
[M+H-H2O]+ 322.17264 174.1
[M+HCOO]- 384.17358 193.3
[M+CH3COO]- 398.18923 190.8
[M+Na-2H]- 360.15005 184.7
[M]+ 339.17483 176.5
[M]- 339.17593 176.5
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