CID 57389999

Cpi-0610

Structural Information

Molecular Formula
C20H16ClN3O2
SMILES
CC1=NOC2=C1C3=CC=CC=C3C(=N[C@H]2CC(=O)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
InChIKey
GCWIQUVXWZWCLE-INIZCTEOSA-N
Compound name
2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

765
Patents

365.0931 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10038 187.2
[M+Na]+ 388.08232 201.0
[M+NH4]+ 383.12692 194.4
[M+K]+ 404.05626 196.0
[M-H]- 364.08582 192.4
[M+Na-2H]- 386.06777 192.6
[M]+ 365.09255 191.1
[M]- 365.09365 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe