CID 3715

Indomethacin

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey
CGIGDMFJXJATDK-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

30438
References

128576
Patents

357.07678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08406 180.3
[M+Na]+ 380.06600 195.4
[M+NH4]+ 375.11060 187.1
[M+K]+ 396.03994 190.3
[M-H]- 356.06950 182.8
[M+Na-2H]- 378.05145 186.3
[M]+ 357.07623 183.4
[M]- 357.07733 183.4
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