CID 202767

13262-38-9

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1=CN=CC=C1NC(=O)N
InChI
InChI=1S/C6H7N3O/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
InChIKey
ICJVRPQWEPOSOL-UHFFFAOYSA-N
Compound name
pyridin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

433
Patents

137.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.4
[M+Na]+ 160.04813 132.4
[M-H]- 136.05163 127.4
[M+NH4]+ 155.09273 144.7
[M+K]+ 176.02207 131.0
[M+H-H2O]+ 120.05617 118.5
[M+HCOO]- 182.05711 150.5
[M+CH3COO]- 196.07276 175.2
[M+Na-2H]- 158.03358 133.6
[M]+ 137.05836 122.2
[M]- 137.05946 122.2
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