CID 49828

67369-98-6

Structural Information

Molecular Formula
C26H19ClF3NO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C26H19ClF3NO4/c1-15-21(14-24(32)35-20-5-3-4-17(12-20)26(28,29)30)22-13-19(34-2)10-11-23(22)31(15)25(33)16-6-8-18(27)9-7-16/h3-13H,14H2,1-2H3
InChIKey
KPIGFIICBCBCLE-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

501.09546 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.10274 217.2
[M+Na]+ 524.08468 228.1
[M-H]- 500.08818 223.9
[M+NH4]+ 519.12928 226.5
[M+K]+ 540.05862 220.9
[M+H-H2O]+ 484.09272 205.4
[M+HCOO]- 546.09366 228.8
[M+CH3COO]- 560.10931 238.6
[M+Na-2H]- 522.07013 214.8
[M]+ 501.09491 223.3
[M]- 501.09601 223.3
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