CID 11462174

Oc000459

Structural Information

Molecular Formula
C21H17FN2O2
SMILES
CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
InChIKey
FATGTHLOZSXOBC-UHFFFAOYSA-N
Compound name
2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

363
Patents

348.1274 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13468 182.9
[M+Na]+ 371.11662 193.8
[M-H]- 347.12012 187.3
[M+NH4]+ 366.16122 196.7
[M+K]+ 387.09056 186.4
[M+H-H2O]+ 331.12466 172.8
[M+HCOO]- 393.12560 200.7
[M+CH3COO]- 407.14125 193.5
[M+Na-2H]- 369.10207 185.3
[M]+ 348.12685 185.6
[M]- 348.12795 185.6
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