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 167.6
[M+Na]+ 283.15292 173.9
[M-H]- 259.15642 171.3
[M+NH4]+ 278.19752 182.3
[M+K]+ 299.12686 172.2
[M+H-H2O]+ 243.16096 153.6
[M+HCOO]- 305.16190 188.6
[M+CH3COO]- 319.17755 216.3
[M+Na-2H]- 281.13837 172.0
[M]+ 260.16315 163.0
[M]- 260.16425 163.0
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.