CID 3050758

Brn 0421755

Structural Information

Molecular Formula
C11H13Cl2N5
SMILES
CC(C)(C)N=C(NC#N)NC1=C(N=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2N5/c1-11(2,3)18-10(15-6-14)16-7-4-5-8(12)17-9(7)13/h4-5H,1-3H3,(H2,15,16,18)
InChIKey
FEZIBYRCYFFLNN-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(2,6-dichloropyridin-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.0548 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06208 171.5
[M+Na]+ 308.04402 180.8
[M-H]- 284.04752 173.8
[M+NH4]+ 303.08862 185.6
[M+K]+ 324.01796 176.1
[M+H-H2O]+ 268.05206 158.9
[M+HCOO]- 330.05300 183.3
[M+CH3COO]- 344.06865 216.2
[M+Na-2H]- 306.02947 175.1
[M]+ 285.05425 168.1
[M]- 285.05535 168.1
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.