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 200.5
[M+Na]+ 426.25158 206.1
[M-H]- 402.25508 210.1
[M+NH4]+ 421.29618 216.1
[M+K]+ 442.22552 199.5
[M+H-H2O]+ 386.25962 191.3
[M+HCOO]- 448.26056 222.3
[M+CH3COO]- 462.27621 209.9
[M+Na-2H]- 424.23703 199.5
[M]+ 403.26181 201.2
[M]- 403.26291 201.2
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.