CID 3072910

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

Structural Information

Molecular Formula
C34H49N3O
SMILES
CCCCCCCN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(C=CC=C4C(C)C)C(C)C
InChI
InChI=1S/C34H49N3O/c1-6-7-8-9-14-22-37-23-30(29-16-10-11-19-31(29)37)34(20-12-13-21-34)24-35-33(38)36-32-27(25(2)3)17-15-18-28(32)26(4)5/h10-11,15-19,23,25-26H,6-9,12-14,20-22,24H2,1-5H3,(H2,35,36,38)
InChIKey
VZZWDRTXBULSQG-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-heptylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.3876 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.39488 235.9
[M+Na]+ 538.37682 236.9
[M-H]- 514.38032 243.8
[M+NH4]+ 533.42142 246.5
[M+K]+ 554.35076 230.1
[M+H-H2O]+ 498.38486 225.8
[M+HCOO]- 560.38580 252.6
[M+CH3COO]- 574.40145 253.5
[M+Na-2H]- 536.36227 228.6
[M]+ 515.38705 237.8
[M]- 515.38815 237.8
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.