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]+ 341.10515 172.8
[M+Na]+ 363.08709 183.0
[M-H]- 339.09059 179.8
[M+NH4]+ 358.13169 180.8
[M+K]+ 379.06103 178.3
[M+H-H2O]+ 323.09513 159.3
[M+HCOO]- 385.09607 187.6
[M+CH3COO]- 399.11172 183.7
[M+Na-2H]- 361.07254 174.6
[M]+ 340.09732 185.5
[M]- 340.09842 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.