CID 9577136

Apsc

Structural Information

Molecular Formula
C8H10N4O
SMILES
C/C(=N\NC(=O)N)/C1=CC=CC=N1
InChI
InChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)/b11-6+
InChIKey
RUXQWZJWMCHCHH-IZZDOVSWSA-N
Compound name
[(E)-1-pyridin-2-ylethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

580
Patents

178.08546 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 137.4
[M+Na]+ 201.07468 143.3
[M-H]- 177.07818 140.7
[M+NH4]+ 196.11928 155.3
[M+K]+ 217.04862 142.2
[M+H-H2O]+ 161.08272 129.6
[M+HCOO]- 223.08366 163.6
[M+CH3COO]- 237.09931 188.4
[M+Na-2H]- 199.06013 144.2
[M]+ 178.08491 134.7
[M]- 178.08601 134.7
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