CID 3072887

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

Structural Information

Molecular Formula
C29H39N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCCC2(CCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C29H39N3O/c1-20(2)22-12-10-13-23(21(3)4)27(22)31-28(33)30-18-17-29(15-8-9-16-29)25-19-32(5)26-14-7-6-11-24(25)26/h6-7,10-14,19-21H,8-9,15-18H2,1-5H3,(H2,30,31,33)
InChIKey
VZTYYXKWTKDVEN-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-[1-(1-methylindol-3-yl)cyclopentyl]ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.30933 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.31661 214.4
[M+Na]+ 468.29855 217.8
[M-H]- 444.30205 223.5
[M+NH4]+ 463.34315 228.0
[M+K]+ 484.27249 212.0
[M+H-H2O]+ 428.30659 205.3
[M+HCOO]- 490.30753 233.0
[M+CH3COO]- 504.32318 239.3
[M+Na-2H]- 466.28400 209.7
[M]+ 445.30878 214.9
[M]- 445.30988 214.9
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.