CID 3018066

1-cyclohexyl-3-(2-methyl-4-quinolyl)urea

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3CCCCC3
InChI
InChI=1S/C17H21N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20,21)
InChIKey
BDXWQASIPDHNBR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-methylquinolin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.16846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 165.5
[M+Na]+ 306.157678 169.3
[M-H]- 282.161184 170.5
[M+NH4]+ 301.202283 179.9
[M+K]+ 322.131618 164.8
[M+H-H2O]+ 266.165720 156.2
[M+HCOO]- 328.166661 184.5
[M+CH3COO]- 342.182311 175.1
[M+Na-2H]- 304.143126 170.6
[M]+ 283.16791142 159.9
[M]- 283.16900858 159.9
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

patents stripe