CID 3449428

1-ethyl-3-(4-pyridyl)urea

Structural Information

Molecular Formula
C8H11N3O
SMILES
CCNC(=O)NC1=CC=NC=C1
InChI
InChI=1S/C8H11N3O/c1-2-10-8(12)11-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H2,9,10,11,12)
InChIKey
ZJNFYBITQPOYSY-UHFFFAOYSA-N
Compound name
1-ethyl-3-pyridin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

165.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.4
[M+Na]+ 188.07943 140.7
[M-H]- 164.08293 136.7
[M+NH4]+ 183.12403 153.0
[M+K]+ 204.05337 139.2
[M+H-H2O]+ 148.08747 127.2
[M+HCOO]- 210.08841 159.6
[M+CH3COO]- 224.10406 181.3
[M+Na-2H]- 186.06488 142.7
[M]+ 165.08966 132.9
[M]- 165.09076 132.9
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