CID 3072891

Urea, n-(2,4-difluorophenyl)-n'-((1-(1-methyl-1h-indol-3-yl)cyclopentyl)methyl)-

Structural Information

Molecular Formula
C22H23F2N3O
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H23F2N3O/c1-27-13-17(16-6-2-3-7-20(16)27)22(10-4-5-11-22)14-25-21(28)26-19-9-8-15(23)12-18(19)24/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H2,25,26,28)
InChIKey
CZLJXBRJNSLXJG-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1809 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18818 188.3
[M+Na]+ 406.17012 195.9
[M-H]- 382.17362 195.8
[M+NH4]+ 401.21472 204.6
[M+K]+ 422.14406 189.1
[M+H-H2O]+ 366.17816 177.8
[M+HCOO]- 428.17910 209.4
[M+CH3COO]- 442.19475 198.2
[M+Na-2H]- 404.15557 188.2
[M]+ 383.18035 185.8
[M]- 383.18145 185.8
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.