CID 3072916

Urea, n-(2,6-dichlorophenyl)-n'-((1-(1-methyl-1h-indol-3-yl)cyclopentyl)methyl)-

Structural Information

Molecular Formula
C22H23Cl2N3O
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C22H23Cl2N3O/c1-27-13-16(15-7-2-3-10-19(15)27)22(11-4-5-12-22)14-25-21(28)26-20-17(23)8-6-9-18(20)24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H2,25,26,28)
InChIKey
CHSJDYFKZBMJEG-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.12183 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12911 196.3
[M+Na]+ 438.11105 210.0
[M+NH4]+ 433.15565 206.2
[M+K]+ 454.08499 201.9
[M-H]- 414.11455 202.7
[M+Na-2H]- 436.09650 205.2
[M]+ 415.12128 200.8
[M]- 415.12238 200.8
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.