CID 3050791

Brn 2876248

Structural Information

Molecular Formula
C14H19N5O
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=NC(C)(C)C)NC#N
InChI
InChI=1S/C14H19N5O/c1-10(20)17-11-5-7-12(8-6-11)18-13(16-9-15)19-14(2,3)4/h5-8H,1-4H3,(H,17,20)(H2,16,18,19)
InChIKey
LURKZTVINRYDMI-UHFFFAOYSA-N
Compound name
N-[4-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.15897 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16625 173.9
[M+Na]+ 296.14819 179.3
[M-H]- 272.15169 177.5
[M+NH4]+ 291.19279 187.6
[M+K]+ 312.12213 177.9
[M+H-H2O]+ 256.15623 159.6
[M+HCOO]- 318.15717 194.8
[M+CH3COO]- 332.17282 219.8
[M+Na-2H]- 294.13364 177.0
[M]+ 273.15842 167.0
[M]- 273.15952 167.0
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.