CID 55495

Brn 4541810

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
COC1=CC=C(C=C1)CN2C(C(C2=O)Cl)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H17ClN2O2/c1-24-13-8-6-12(7-9-13)11-22-18(17(20)19(22)23)15-10-21-16-5-3-2-4-14(15)16/h2-10,17-18,21H,11H2,1H3
InChIKey
KZQORCWBOZGIAZ-UHFFFAOYSA-N
Compound name
3-chloro-4-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09787 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.105146 172.8
[M+Na]+ 363.087088 183.0
[M-H]- 339.090594 179.8
[M+NH4]+ 358.131693 180.8
[M+K]+ 379.061028 178.3
[M+H-H2O]+ 323.095130 159.3
[M+HCOO]- 385.096071 187.6
[M+CH3COO]- 399.111721 183.7
[M+Na-2H]- 361.072536 174.6
[M]+ 340.09732142 185.5
[M]- 340.09841858 185.5
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.