CID 15339

1601-18-9

Structural Information

Molecular Formula
C20H18ClNO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC
InChI
InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChIKey
OKHORWCUMZIORR-UHFFFAOYSA-N
Compound name
methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

173
Patents

371.09244 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09972 185.1
[M+Na]+ 394.08166 196.3
[M-H]- 370.08516 192.7
[M+NH4]+ 389.12626 200.3
[M+K]+ 410.05560 191.0
[M+H-H2O]+ 354.08970 177.7
[M+HCOO]- 416.09064 202.6
[M+CH3COO]- 430.10629 216.3
[M+Na-2H]- 392.06711 185.1
[M]+ 371.09189 194.9
[M]- 371.09299 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe