CID 3072919

145131-45-9

Structural Information

Molecular Formula
C26H33N3O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C26H33N3O/c1-4-19-11-10-12-20(5-2)24(19)28-25(30)27-18-26(15-8-9-16-26)22-17-29(3)23-14-7-6-13-21(22)23/h6-7,10-14,17H,4-5,8-9,15-16,18H2,1-3H3,(H2,27,28,30)
InChIKey
HKJNDEBHJSGHSS-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.26236 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.26964 202.1
[M+Na]+ 426.25158 213.5
[M+NH4]+ 421.29618 211.1
[M+K]+ 442.22552 206.4
[M-H]- 402.25508 208.6
[M+Na-2H]- 424.23703 210.2
[M]+ 403.26181 205.6
[M]- 403.26291 205.6
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.