CID 48881

67026-78-2

Structural Information

Molecular Formula
C12H18N4O
SMILES
CCC(C)(C)N=C(NC=O)NC1=CN=CC=C1
InChI
InChI=1S/C12H18N4O/c1-4-12(2,3)16-11(14-9-17)15-10-6-5-7-13-8-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17)
InChIKey
NPPXEXPOHVWMNN-UHFFFAOYSA-N
Compound name
N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.14806 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 155.2
[M+Na]+ 257.13728 160.0
[M-H]- 233.14078 158.5
[M+NH4]+ 252.18188 171.4
[M+K]+ 273.11122 158.3
[M+H-H2O]+ 217.14532 147.2
[M+HCOO]- 279.14626 180.1
[M+CH3COO]- 293.16191 199.9
[M+Na-2H]- 255.12273 162.9
[M]+ 234.14751 154.9
[M]- 234.14861 154.9
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.