CID 3050777

Acetamide, n-((cyanoamino)(3-pyridinylimino)methyl)-n-(1,1-dimethylethyl)-, hydrate

Structural Information

Molecular Formula
C13H17N5O
SMILES
CC(=O)N(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C
InChI
InChI=1S/C13H17N5O/c1-10(19)18(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11/h5-8H,1-4H3,(H,16,17)
InChIKey
UYURSIDNENQIOT-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.1433 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15058 166.5
[M+Na]+ 282.13252 174.3
[M+NH4]+ 277.17712 168.9
[M+K]+ 298.10646 167.0
[M-H]- 258.13602 160.7
[M+Na-2H]- 280.11797 168.8
[M]+ 259.14275 164.8
[M]- 259.14385 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.