CID 60129

Brn 5632676

Structural Information

Molecular Formula
C20H18ClNO4
SMILES
CC1=C(C2=C(N1CC(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C20H18ClNO4/c1-12-16(10-20(24)25)17-9-15(26-2)7-8-18(17)22(12)11-19(23)13-3-5-14(21)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKey
CDRVJEBSVVMFET-UHFFFAOYSA-N
Compound name
2-[1-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.09244 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09972 184.7
[M+Na]+ 394.08166 195.2
[M-H]- 370.08516 190.9
[M+NH4]+ 389.12626 199.0
[M+K]+ 410.05560 189.2
[M+H-H2O]+ 354.08970 177.6
[M+HCOO]- 416.09064 200.7
[M+CH3COO]- 430.10629 215.3
[M+Na-2H]- 392.06711 184.4
[M]+ 371.09189 192.9
[M]- 371.09299 192.9
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

patents stripe