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

literature stripe

Patent stripe

patents stripe