CID 99419

3-(6-butoxy-3-pyridyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CCCCOC1=NC=C(C=C1)NC(=O)N(C)C
InChI
InChI=1S/C12H19N3O2/c1-4-5-8-17-11-7-6-10(9-13-11)14-12(16)15(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)
InChIKey
AHXQRHUJGFXWIQ-UHFFFAOYSA-N
Compound name
3-(6-butoxy-3-pyridinyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 155.8
[M+Na]+ 260.136938 161.4
[M-H]- 236.140444 159.3
[M+NH4]+ 255.181543 172.4
[M+K]+ 276.110878 160.9
[M+H-H2O]+ 220.144980 147.6
[M+HCOO]- 282.145921 180.4
[M+CH3COO]- 296.161571 200.1
[M+Na-2H]- 258.122386 160.5
[M]+ 237.14717142 158.9
[M]- 237.14826858 158.9
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

No patent data available for this compound.