CID 3050786

Brn 2871906

Structural Information

Molecular Formula
C15H22N4O
SMILES
CCC(C)(C)N=C(NC#N)NC1=CC=CC=C1OCC
InChI
InChI=1S/C15H22N4O/c1-5-15(3,4)19-14(17-11-16)18-12-9-7-8-10-13(12)20-6-2/h7-10H,5-6H2,1-4H3,(H2,17,18,19)
InChIKey
SNGHGOYVGRPAGD-UHFFFAOYSA-N
Compound name
1-cyano-3-(2-ethoxyphenyl)-2-(2-methylbutan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.17935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 171.5
[M+Na]+ 297.16857 177.4
[M-H]- 273.17207 175.0
[M+NH4]+ 292.21317 185.7
[M+K]+ 313.14251 175.4
[M+H-H2O]+ 257.17661 157.3
[M+HCOO]- 319.17755 192.2
[M+CH3COO]- 333.19320 219.0
[M+Na-2H]- 295.15402 175.4
[M]+ 274.17880 167.2
[M]- 274.17990 167.2
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.