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 159.1
[M+Na]+ 272.14819 162.9
[M-H]- 248.15169 162.0
[M+NH4]+ 267.19279 174.0
[M+K]+ 288.12213 161.6
[M+H-H2O]+ 232.15623 150.8
[M+HCOO]- 294.15717 183.4
[M+CH3COO]- 308.17282 204.8
[M+Na-2H]- 270.13364 164.9
[M]+ 249.15842 156.3
[M]- 249.15952 156.3
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.