CID 16369166

920736-62-5

Structural Information

Molecular Formula
C21H18FN3O2
SMILES
CC1=CC(=NO1)NC(=O)CCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H18FN3O2/c1-13-12-19(25-27-13)24-20(26)11-10-17-16-4-2-3-5-18(16)23-21(17)14-6-8-15(22)9-7-14/h2-9,12,23H,10-11H2,1H3,(H,24,25,26)
InChIKey
ACBUSZGGVRRJFY-UHFFFAOYSA-N
Compound name
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1383 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14558 184.5
[M+Na]+ 386.12752 193.7
[M-H]- 362.13102 192.1
[M+NH4]+ 381.17212 196.6
[M+K]+ 402.10146 187.8
[M+H-H2O]+ 346.13556 174.8
[M+HCOO]- 408.13650 205.1
[M+CH3COO]- 422.15215 195.1
[M+Na-2H]- 384.11297 185.5
[M]+ 363.13775 186.6
[M]- 363.13885 186.6
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.