CID 288682

N-methyl-n'-pyridin-4-yl urea

Structural Information

Molecular Formula
C7H9N3O
SMILES
CNC(=O)NC1=CC=NC=C1
InChI
InChI=1S/C7H9N3O/c1-8-7(11)10-6-2-4-9-5-3-6/h2-5H,1H3,(H2,8,9,10,11)
InChIKey
ONMJSOWGSDMZBC-UHFFFAOYSA-N
Compound name
1-methyl-3-pyridin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

151.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 129.8
[M+Na]+ 174.06377 136.5
[M-H]- 150.06727 132.3
[M+NH4]+ 169.10837 149.0
[M+K]+ 190.03771 135.3
[M+H-H2O]+ 134.07181 122.8
[M+HCOO]- 196.07275 155.3
[M+CH3COO]- 210.08840 178.3
[M+Na-2H]- 172.04922 138.6
[M]+ 151.07400 128.0
[M]- 151.07510 128.0
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