CID 3072902

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

Structural Information

Molecular Formula
C30H41N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C(C)C
InChI
InChI=1S/C30H41N3O/c1-20(2)23-13-11-14-24(21(3)4)28(23)32-29(34)31-19-30(16-9-10-17-30)26-18-33(22(5)6)27-15-8-7-12-25(26)27/h7-8,11-15,18,20-22H,9-10,16-17,19H2,1-6H3,(H2,31,32,34)
InChIKey
NPYMBCLSOQXHNN-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-propan-2-ylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.32495 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.33223 218.8
[M+Na]+ 482.31417 221.3
[M-H]- 458.31767 227.7
[M+NH4]+ 477.35877 231.7
[M+K]+ 498.28811 216.0
[M+H-H2O]+ 442.32221 209.8
[M+HCOO]- 504.32315 236.0
[M+CH3COO]- 518.33880 243.1
[M+Na-2H]- 480.29962 212.5
[M]+ 459.32440 219.0
[M]- 459.32550 219.0
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.