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 183.1
[M+Na]+ 377.11578 187.3
[M-H]- 353.11928 186.4
[M+NH4]+ 372.16038 196.3
[M+K]+ 393.08972 180.2
[M+H-H2O]+ 337.12382 175.2
[M+HCOO]- 399.12476 188.1
[M+CH3COO]- 413.14041 190.7
[M+Na-2H]- 375.10123 182.9
[M]+ 354.12601 179.7
[M]- 354.12711 179.7
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.