CID 3072929

145131-55-1

Structural Information

Molecular Formula
C31H35N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=CC=C2)CC3(CCCC3)C4=CN(C5=CC=CC=C54)C
InChI
InChI=1S/C31H35N3O/c1-23-12-11-13-24(2)29(23)32-30(35)34(20-25-14-5-4-6-15-25)22-31(18-9-10-19-31)27-21-33(3)28-17-8-7-16-26(27)28/h4-8,11-17,21H,9-10,18-20,22H2,1-3H3,(H,32,35)
InChIKey
KPOISVAFTQDETA-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2,6-dimethylphenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.278 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.28528 218.3
[M+Na]+ 488.26722 231.6
[M+NH4]+ 483.31182 227.8
[M+K]+ 504.24116 223.5
[M-H]- 464.27072 227.7
[M+Na-2H]- 486.25267 229.1
[M]+ 465.27745 223.1
[M]- 465.27855 223.1
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.