CID 374778

Nsc653023

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
COC1=CC=C(C=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H15ClN2O2/c1-23-12-8-6-11(7-9-12)21-16(17(22)18(21)19)14-10-20-15-5-3-2-4-13(14)15/h2-10,16,18,20H,1H3
InChIKey
LJUXUWDXIRPKNI-UHFFFAOYSA-N
Compound name
2-chloro-4-(1H-indol-3-yl)-1-(4-methoxyphenyl)azetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0822 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 168.2
[M+Na]+ 349.07142 178.8
[M-H]- 325.07492 175.4
[M+NH4]+ 344.11602 176.7
[M+K]+ 365.04536 174.3
[M+H-H2O]+ 309.07946 154.8
[M+HCOO]- 371.08040 183.3
[M+CH3COO]- 385.09605 179.5
[M+Na-2H]- 347.05687 170.5
[M]+ 326.08165 180.6
[M]- 326.08275 180.6
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.