CID 3050787

67026-98-6

Structural Information

Molecular Formula
C14H20N4O
SMILES
CCC(C)(C)N=C(NC#N)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C14H20N4O/c1-5-14(2,3)18-13(16-10-15)17-11-6-8-12(19-4)9-7-11/h6-9H,5H2,1-4H3,(H2,16,17,18)
InChIKey
GCIBZAJSVKHRML-UHFFFAOYSA-N
Compound name
1-cyano-3-(4-methoxyphenyl)-2-(2-methylbutan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 167.5
[M+Na]+ 283.15292 175.7
[M+NH4]+ 278.19752 170.5
[M+K]+ 299.12686 167.0
[M-H]- 259.15642 162.5
[M+Na-2H]- 281.13837 169.9
[M]+ 260.16315 166.2
[M]- 260.16425 166.2
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.