CID 3050102

Brn 0462514

Structural Information

Molecular Formula
C26H21ClFNO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC4=CC(=CC=C4)F
InChI
InChI=1S/C26H21ClFNO4/c1-16-22(14-25(30)33-15-17-4-3-5-20(28)12-17)23-13-21(32-2)10-11-24(23)29(16)26(31)18-6-8-19(27)9-7-18/h3-13H,14-15H2,1-2H3
InChIKey
YGGNQRCUBWKJFO-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.11432 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12160 211.2
[M+Na]+ 488.10354 221.5
[M-H]- 464.10704 220.2
[M+NH4]+ 483.14814 221.9
[M+K]+ 504.07748 214.5
[M+H-H2O]+ 448.11158 200.7
[M+HCOO]- 510.11252 226.6
[M+CH3COO]- 524.12817 233.7
[M+Na-2H]- 486.08899 208.7
[M]+ 465.11377 219.8
[M]- 465.11487 219.8
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

No patent data available for this compound.