CID 3072884

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

Structural Information

Molecular Formula
C28H37N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C28H37N3O/c1-19(2)21-12-10-13-22(20(3)4)26(21)30-27(32)29-18-28(15-8-9-16-28)24-17-31(5)25-14-7-6-11-23(24)25/h6-7,10-14,17,19-20H,8-9,15-16,18H2,1-5H3,(H2,29,30,32)
InChIKey
NSSIOMUVMONBEK-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.29367 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.30095 210.1
[M+Na]+ 454.28289 213.9
[M-H]- 430.28639 219.4
[M+NH4]+ 449.32749 224.3
[M+K]+ 470.25683 208.3
[M+H-H2O]+ 414.29093 201.1
[M+HCOO]- 476.29187 229.0
[M+CH3COO]- 490.30752 236.5
[M+Na-2H]- 452.26834 205.8
[M]+ 431.29312 210.2
[M]- 431.29422 210.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.