CID 48884

1-tert-pentyl-3-(3-pyridyl)-2-pyrimidylguanidine dihydrochloride

Structural Information

Molecular Formula
C15H20N6
SMILES
CCC(C)(C)N=C(NC1=CN=CC=C1)NC2=NC=CC=N2
InChI
InChI=1S/C15H20N6/c1-4-15(2,3)21-14(19-12-7-5-8-16-11-12)20-13-17-9-6-10-18-13/h5-11H,4H2,1-3H3,(H2,17,18,19,20,21)
InChIKey
WWZMIYMLQPGPBH-UHFFFAOYSA-N
Compound name
2-(2-methylbutan-2-yl)-1-pyridin-3-yl-3-pyrimidin-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.17496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18224 167.1
[M+Na]+ 307.16418 178.2
[M+NH4]+ 302.20878 173.2
[M+K]+ 323.13812 172.0
[M-H]- 283.16768 170.7
[M+Na-2H]- 305.14963 176.4
[M]+ 284.17441 169.5
[M]- 284.17551 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.