CID 210925

Af 32

Structural Information

Molecular Formula
C18H32N8O
SMILES
CCN(CC)C(=O)N1CCN(CC1)CC2=NC(=NC(=N2)N3CCCCC3)N
InChI
InChI=1S/C18H32N8O/c1-3-24(4-2)18(27)26-12-10-23(11-13-26)14-15-20-16(19)22-17(21-15)25-8-6-5-7-9-25/h3-14H2,1-2H3,(H2,19,20,21,22)
InChIKey
UQJDBHDCPWOBGL-UHFFFAOYSA-N
Compound name
4-[(4-amino-6-piperidin-1-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

376.2699 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.27718 197.0
[M+Na]+ 399.25912 198.5
[M-H]- 375.26262 197.7
[M+NH4]+ 394.30372 199.7
[M+K]+ 415.23306 193.9
[M+H-H2O]+ 359.26716 183.0
[M+HCOO]- 421.26810 205.8
[M+CH3COO]- 435.28375 225.8
[M+Na-2H]- 397.24457 196.1
[M]+ 376.26935 189.5
[M]- 376.27045 189.5
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.