CID 217706

39493-95-3

Structural Information

Molecular Formula
C18H24Cl2N2O
SMILES
C1CC[C@H]2[C@H](C1)CCCN2CCC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C18H24Cl2N2O/c19-14-7-3-8-15(20)18(14)21-17(23)10-12-22-11-4-6-13-5-1-2-9-16(13)22/h3,7-8,13,16H,1-2,4-6,9-12H2,(H,21,23)/t13-,16+/m1/s1
InChIKey
WHOBLEYNSREIDH-CJNGLKHVSA-N
Compound name
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12656 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13384 181.2
[M+Na]+ 377.11578 193.9
[M+NH4]+ 372.16038 190.1
[M+K]+ 393.08972 184.6
[M-H]- 353.11928 185.7
[M+Na-2H]- 375.10123 186.5
[M]+ 354.12601 184.8
[M]- 354.12711 184.8
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

No patent data available for this compound.