CID 3072889

Urea, n-((1-(1-methyl-1h-indol-3-yl)cyclopentyl)methyl)-n'-phenyl-

Structural Information

Molecular Formula
C22H25N3O
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C22H25N3O/c1-25-15-19(18-11-5-6-12-20(18)25)22(13-7-8-14-22)16-23-21(26)24-17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14,16H2,1H3,(H2,23,24,26)
InChIKey
BWAXSUZJGFYIFP-UHFFFAOYSA-N
Compound name
1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19977 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 184.7
[M+Na]+ 370.18899 196.2
[M+NH4]+ 365.23359 194.4
[M+K]+ 386.16293 189.6
[M-H]- 346.19249 191.2
[M+Na-2H]- 368.17444 194.3
[M]+ 347.19922 188.2
[M]- 347.20032 188.2
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.