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 168.3
[M+Na]+ 307.16418 173.0
[M-H]- 283.16768 171.9
[M+NH4]+ 302.20878 179.3
[M+K]+ 323.13812 169.2
[M+H-H2O]+ 267.17222 157.5
[M+HCOO]- 329.17316 190.5
[M+CH3COO]- 343.18881 208.9
[M+Na-2H]- 305.14963 177.8
[M]+ 284.17441 166.9
[M]- 284.17551 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.