CID 166445573

2755915-54-7

Structural Information

Molecular Formula
C20H25N5
SMILES
CC(C)(C)C1=CC(=NC=C1)C2=NC(=CC(=C2)C(C)(C)C)C(=NC#N)N
InChI
InChI=1S/C20H25N5/c1-19(2,3)13-7-8-23-15(9-13)16-10-14(20(4,5)6)11-17(25-16)18(22)24-12-21/h7-11H,1-6H3,(H2,22,24)
InChIKey
LKZVYVQLBVTSLH-UHFFFAOYSA-N
Compound name
4-tert-butyl-6-(4-tert-butylpyridin-2-yl)-N'-cyanopyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.211 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 192.4
[M+Na]+ 358.20022 199.9
[M-H]- 334.20372 195.5
[M+NH4]+ 353.24482 201.8
[M+K]+ 374.17416 195.4
[M+H-H2O]+ 318.20826 176.2
[M+HCOO]- 380.20920 206.9
[M+CH3COO]- 394.22485 228.8
[M+Na-2H]- 356.18567 194.3
[M]+ 335.21045 186.5
[M]- 335.21155 186.5
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.