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 200.4
[M+Na]+ 438.11105 209.0
[M-H]- 414.11455 209.4
[M+NH4]+ 433.15565 216.8
[M+K]+ 454.08499 200.5
[M+H-H2O]+ 398.11909 192.3
[M+HCOO]- 460.12003 213.7
[M+CH3COO]- 474.13568 209.9
[M+Na-2H]- 436.09650 199.7
[M]+ 415.12128 203.4
[M]- 415.12238 203.4
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.