CID 501398

Bibb 515

Structural Information

Molecular Formula
C22H21ClN2O2
SMILES
C1CN(CCC1=CC2=CC=C(C=C2)C3=NCCO3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2
InChIKey
JQNWPWUJMRAASQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

57
Patents

380.12915 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13643 191.4
[M+Na]+ 403.11837 206.6
[M+NH4]+ 398.16297 199.2
[M+K]+ 419.09231 199.4
[M-H]- 379.12187 199.3
[M+Na-2H]- 401.10382 200.1
[M]+ 380.12860 196.1
[M]- 380.12970 196.1
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