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-butyl-2-pyridinyl)-N'-cyanopyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

patents stripe