CID 211142

Af 80

Structural Information

Molecular Formula
C13H22N6
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)N)CN3CCCC3
InChI
InChI=1S/C13H22N6/c14-12-15-11(10-18-6-4-5-7-18)16-13(17-12)19-8-2-1-3-9-19/h1-10H2,(H2,14,15,16,17)
InChIKey
UNRJBYDHUJVIFF-UHFFFAOYSA-N
Compound name
4-piperidin-1-yl-6-(pyrrolidin-1-ylmethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19058 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.197856 164.3
[M+Na]+ 285.179798 168.5
[M-H]- 261.183304 165.6
[M+NH4]+ 280.224403 174.5
[M+K]+ 301.153738 163.9
[M+H-H2O]+ 245.187840 151.9
[M+HCOO]- 307.188781 177.5
[M+CH3COO]- 321.204431 172.3
[M+Na-2H]- 283.165246 165.2
[M]+ 262.19003142 155.8
[M]- 262.19112858 155.8
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.