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 225.5
[M+Na]+ 528.15798 232.2
[M-H]- 504.16148 238.0
[M+NH4]+ 523.20258 238.0
[M+K]+ 544.13192 223.6
[M+H-H2O]+ 488.16602 214.8
[M+HCOO]- 550.16696 238.0
[M+CH3COO]- 564.18261 233.3
[M+Na-2H]- 526.14343 222.3
[M]+ 505.16821 229.8
[M]- 505.16931 229.8
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.