CID 3072930

145131-56-2

Structural Information

Molecular Formula
C29H29Cl2N3O
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CN(CC4=CC=CC=C4)C(=O)NC5=C(C=CC=C5Cl)Cl
InChI
InChI=1S/C29H29Cl2N3O/c1-33-19-23(22-12-5-6-15-26(22)33)29(16-7-8-17-29)20-34(18-21-10-3-2-4-11-21)28(35)32-27-24(30)13-9-14-25(27)31/h2-6,9-15,19H,7-8,16-18,20H2,1H3,(H,32,35)
InChIKey
FFPFJFGCKUEGQK-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2,6-dichlorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.16876 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.17604 222.3
[M+Na]+ 528.15798 237.5
[M+NH4]+ 523.20258 232.4
[M+K]+ 544.13192 227.9
[M-H]- 504.16148 231.5
[M+Na-2H]- 526.14343 233.3
[M]+ 505.16821 228.0
[M]- 505.16931 228.0
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.