CID 3072911

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

Structural Information

Molecular Formula
C31H43N3O
SMILES
CCCCN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(C=CC=C4C(C)C)C(C)C
InChI
InChI=1S/C31H43N3O/c1-6-7-19-34-20-27(26-13-8-9-16-28(26)34)31(17-10-11-18-31)21-32-30(35)33-29-24(22(2)3)14-12-15-25(29)23(4)5/h8-9,12-16,20,22-23H,6-7,10-11,17-19,21H2,1-5H3,(H2,32,33,35)
InChIKey
FWFQYEMXYCLOQL-UHFFFAOYSA-N
Compound name
1-[[1-(1-butylindol-3-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.3406 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.34788 223.1
[M+Na]+ 496.32982 225.5
[M-H]- 472.33332 231.7
[M+NH4]+ 491.37442 235.5
[M+K]+ 512.30376 219.3
[M+H-H2O]+ 456.33786 213.5
[M+HCOO]- 518.33880 240.9
[M+CH3COO]- 532.35445 245.0
[M+Na-2H]- 494.31527 217.3
[M]+ 473.34005 224.1
[M]- 473.34115 224.1
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.