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]+ 263.19786 164.3
[M+Na]+ 285.17980 168.5
[M-H]- 261.18330 165.6
[M+NH4]+ 280.22440 174.5
[M+K]+ 301.15374 163.9
[M+H-H2O]+ 245.18784 151.9
[M+HCOO]- 307.18878 177.5
[M+CH3COO]- 321.20443 172.3
[M+Na-2H]- 283.16525 165.2
[M]+ 262.19003 155.8
[M]- 262.19113 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.