CID 650313

1-cyclohexyl-3-(3-pyridylmethyl)urea

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CCC(CC1)NC(=O)NCC2=CN=CC=C2
InChI
InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)
InChIKey
XXSTXXTVGPRZSU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

233.15282 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 153.4
[M+Na]+ 256.14204 155.6
[M-H]- 232.14554 157.2
[M+NH4]+ 251.18664 168.4
[M+K]+ 272.11598 152.8
[M+H-H2O]+ 216.15008 144.5
[M+HCOO]- 278.15102 174.0
[M+CH3COO]- 292.16667 193.3
[M+Na-2H]- 254.12749 158.8
[M]+ 233.15227 146.8
[M]- 233.15337 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe