CID 9800708

Rti 336

Structural Information

Molecular Formula
C24H25ClN2O
SMILES
CC1=CC=C(C=C1)C2=NOC(=C2)[C@@H]3[C@H]4CC[C@H](N4C)C[C@@H]3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3/t19-,20+,22+,24-/m0/s1
InChIKey
AUXUFNHAVGIVDC-IKJKNFHUSA-N
Compound name
5-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

38
Patents

392.16553 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17281 195.3
[M+Na]+ 415.15475 211.9
[M+NH4]+ 410.19935 205.1
[M+K]+ 431.12869 205.4
[M-H]- 391.15825 204.0
[M+Na-2H]- 413.14020 202.1
[M]+ 392.16498 200.7
[M]- 392.16608 200.7
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

patents stripe