CID 1082704

1,3-dipyridin-4-ylurea

Structural Information

Molecular Formula
C11H10N4O
SMILES
C1=CN=CC=C1NC(=O)NC2=CC=NC=C2
InChI
InChI=1S/C11H10N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-8H,(H2,12,13,14,15,16)
InChIKey
QRRGJASIECDXQW-UHFFFAOYSA-N
Compound name
1,3-dipyridin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

18
Patents

214.08546 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09274 144.8
[M+Na]+ 237.07468 151.2
[M-H]- 213.07818 148.8
[M+NH4]+ 232.11928 159.5
[M+K]+ 253.04862 147.8
[M+H-H2O]+ 197.08272 135.5
[M+HCOO]- 259.08366 169.1
[M+CH3COO]- 273.09931 189.0
[M+Na-2H]- 235.06013 154.6
[M]+ 214.08491 142.4
[M]- 214.08601 142.4
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