CID 210901

Brn 0717836

Structural Information

Molecular Formula
C16H27N7O2
SMILES
CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)N3CCCCC3)N
InChI
InChI=1S/C16H27N7O2/c1-2-25-16(24)23-10-8-21(9-11-23)12-13-18-14(17)20-15(19-13)22-6-4-3-5-7-22/h2-12H2,1H3,(H2,17,18,19,20)
InChIKey
KENDDWGMCCUSBV-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.22263 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22991 189.7
[M+Na]+ 372.21185 192.5
[M-H]- 348.21535 189.1
[M+NH4]+ 367.25645 193.0
[M+K]+ 388.18579 187.5
[M+H-H2O]+ 332.21989 176.0
[M+HCOO]- 394.22083 197.7
[M+CH3COO]- 408.23648 214.0
[M+Na-2H]- 370.19730 189.4
[M]+ 349.22208 182.1
[M]- 349.22318 182.1
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.