CID 207512

Af 62

Structural Information

Molecular Formula
C17H30N8O2
SMILES
CCN(CC)C(=O)N1CCN(CC1)CC2=NC(=NC(=N2)N3CCOCC3)N
InChI
InChI=1S/C17H30N8O2/c1-3-23(4-2)17(26)25-7-5-22(6-8-25)13-14-19-15(18)21-16(20-14)24-9-11-27-12-10-24/h3-13H2,1-2H3,(H2,18,19,20,21)
InChIKey
BHJZGGAYGFSGSH-UHFFFAOYSA-N
Compound name
4-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.24918 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.25646 197.9
[M+Na]+ 401.23840 199.9
[M-H]- 377.24190 199.4
[M+NH4]+ 396.28300 199.1
[M+K]+ 417.21234 196.8
[M+H-H2O]+ 361.24644 183.7
[M+HCOO]- 423.24738 206.2
[M+CH3COO]- 437.26303 225.4
[M+Na-2H]- 399.22385 197.5
[M]+ 378.24863 191.9
[M]- 378.24973 191.9
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.