CID 33177

25803-21-8

Structural Information

Molecular Formula
C19H16FNO4
SMILES
CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey
NSNZBVZOKLXXFU-UHFFFAOYSA-N
Compound name
2-[3-(4-fluorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

341.10632 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11360 176.8
[M+Na]+ 364.09554 187.0
[M-H]- 340.09904 181.9
[M+NH4]+ 359.14014 191.3
[M+K]+ 380.06948 182.3
[M+H-H2O]+ 324.10358 168.3
[M+HCOO]- 386.10452 196.6
[M+CH3COO]- 400.12017 211.4
[M+Na-2H]- 362.08099 176.8
[M]+ 341.10577 181.3
[M]- 341.10687 181.3
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