CID 33517

Brn 0493569

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
CC1=C(N2C=CC=CC2=C1C(=O)C3=CC=C(C=C3)Cl)CC(=O)O
InChI
InChI=1S/C18H14ClNO3/c1-11-15(10-16(21)22)20-9-3-2-4-14(20)17(11)18(23)12-5-7-13(19)8-6-12/h2-9H,10H2,1H3,(H,21,22)
InChIKey
PUHSQOUMNBLEEC-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-2-methylindolizin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06622 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 172.7
[M+Na]+ 350.05544 188.2
[M+NH4]+ 345.10004 180.4
[M+K]+ 366.02938 182.6
[M-H]- 326.05894 175.8
[M+Na-2H]- 348.04089 179.7
[M]+ 327.06567 176.1
[M]- 327.06677 176.1
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.