CID 3050776

Brn 0406057

Structural Information

Molecular Formula
C12H19N5O
SMILES
CCC(C)(C)N=C(NC1=CN=CC=C1)NC(=O)N
InChI
InChI=1S/C12H19N5O/c1-4-12(2,3)17-11(16-10(13)18)15-9-6-5-7-14-8-9/h5-8H,4H2,1-3H3,(H4,13,15,16,17,18)
InChIKey
WBISBEQTZUMOHQ-UHFFFAOYSA-N
Compound name
[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.15897 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16625 159.0
[M+Na]+ 272.14819 165.8
[M+NH4]+ 267.19279 164.3
[M+K]+ 288.12213 162.1
[M-H]- 248.15169 160.6
[M+Na-2H]- 270.13364 163.8
[M]+ 249.15842 159.8
[M]- 249.15952 159.8
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.