CID 3072893

Urea, n-(1,1-dimethylethyl)-n'-((1-(1-methyl-1h-indol-3-yl)cyclopentyl)methyl)-

Structural Information

Molecular Formula
C20H29N3O
SMILES
CC(C)(C)NC(=O)NCC1(CCCC1)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C20H29N3O/c1-19(2,3)22-18(24)21-14-20(11-7-8-12-20)16-13-23(4)17-10-6-5-9-15(16)17/h5-6,9-10,13H,7-8,11-12,14H2,1-4H3,(H2,21,22,24)
InChIKey
KKLLSTFWCCOGHM-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 179.7
[M+Na]+ 350.22027 188.2
[M+NH4]+ 345.26487 188.3
[M+K]+ 366.19421 184.0
[M-H]- 326.22377 182.8
[M+Na-2H]- 348.20572 186.0
[M]+ 327.23050 181.7
[M]- 327.23160 181.7
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.