CID 3072903

N(sup 1)-(1-(1-allyl-3-indolyl)cyclopentylmethyl)-n(sup 2)-(2,6-diisopropylphenyl)urea

Structural Information

Molecular Formula
C30H39N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)CC=C
InChI
InChI=1S/C30H39N3O/c1-6-18-33-19-26(25-12-7-8-15-27(25)33)30(16-9-10-17-30)20-31-29(34)32-28-23(21(2)3)13-11-14-24(28)22(4)5/h6-8,11-15,19,21-22H,1,9-10,16-18,20H2,2-5H3,(H2,31,32,34)
InChIKey
SMMWSLIXCOWILV-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-prop-2-enylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.30933 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.31661 218.0
[M+Na]+ 480.29855 221.2
[M-H]- 456.30205 226.9
[M+NH4]+ 475.34315 231.0
[M+K]+ 496.27249 214.6
[M+H-H2O]+ 440.30659 208.8
[M+HCOO]- 502.30753 236.5
[M+CH3COO]- 516.32318 241.5
[M+Na-2H]- 478.28400 212.8
[M]+ 457.30878 218.1
[M]- 457.30988 218.1
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.