CID 3072931

145131-57-3

Structural Information

Molecular Formula
C29H29F2N3O
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CN(CC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)F)F
InChI
InChI=1S/C29H29F2N3O/c1-33-19-24(23-11-5-6-12-27(23)33)29(15-7-8-16-29)20-34(18-21-9-3-2-4-10-21)28(35)32-26-14-13-22(30)17-25(26)31/h2-6,9-14,17,19H,7-8,15-16,18,20H2,1H3,(H,32,35)
InChIKey
TVJUGGFUQQODSN-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.22787 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.23515 214.9
[M+Na]+ 496.21709 226.2
[M+NH4]+ 491.26169 222.7
[M+K]+ 512.19103 218.8
[M-H]- 472.22059 220.8
[M+Na-2H]- 494.20254 224.1
[M]+ 473.22732 218.2
[M]- 473.22842 218.2
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.