CID 9574955

Schembl14198072

Structural Information

Molecular Formula
C18H22N4
SMILES
CCC(C)(C)C1=CC=C(C=C1)/C=N/N=C(/C2=CC=CC=N2)\N
InChI
InChI=1S/C18H22N4/c1-4-18(2,3)15-10-8-14(9-11-15)13-21-22-17(19)16-7-5-6-12-20-16/h5-13H,4H2,1-3H3,(H2,19,22)/b21-13+
InChIKey
UNKRXNHXZRXYKU-FYJGNVAPSA-N
Compound name
N'-[(E)-[4-(2-methylbutan-2-yl)phenyl]methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

294.18445 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19173 172.5
[M+Na]+ 317.17367 177.5
[M-H]- 293.17717 179.6
[M+NH4]+ 312.21827 186.5
[M+K]+ 333.14761 173.5
[M+H-H2O]+ 277.18171 162.8
[M+HCOO]- 339.18265 197.5
[M+CH3COO]- 353.19830 215.3
[M+Na-2H]- 315.15912 178.5
[M]+ 294.18390 171.8
[M]- 294.18500 171.8
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.