CID 235078

6270-66-2

Structural Information

Molecular Formula
C14H14N4O3
SMILES
COC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H14N4O3/c1-21-12-4-2-11(3-5-12)16-14(20)18-17-13(19)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,19)(H2,16,18,20)
InChIKey
LMSBBYBIDRBIHO-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(pyridine-4-carbonylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1066 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 163.2
[M+Na]+ 309.09582 168.1
[M-H]- 285.09932 168.6
[M+NH4]+ 304.14042 176.1
[M+K]+ 325.06976 165.7
[M+H-H2O]+ 269.10386 153.7
[M+HCOO]- 331.10480 188.5
[M+CH3COO]- 345.12045 204.8
[M+Na-2H]- 307.08127 169.8
[M]+ 286.10605 162.3
[M]- 286.10715 162.3
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

No patent data available for this compound.