CID 206526

Brn 1186799

Structural Information

Molecular Formula
C18H33N9O3
SMILES
C1COCCN1CNC2=NC(=NC(=N2)NCN3CCOCC3)NCN4CCOCC4
InChI
InChI=1S/C18H33N9O3/c1-7-28-8-2-25(1)13-19-16-22-17(20-14-26-3-9-29-10-4-26)24-18(23-16)21-15-27-5-11-30-12-6-27/h1-15H2,(H3,19,20,21,22,23,24)
InChIKey
COTBHTUHUYQOJI-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-tris(morpholin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.27063 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.27791 203.8
[M+Na]+ 446.25985 201.7
[M-H]- 422.26335 206.9
[M+NH4]+ 441.30445 198.6
[M+K]+ 462.23379 199.5
[M+H-H2O]+ 406.26789 187.4
[M+HCOO]- 468.26883 208.8
[M+CH3COO]- 482.28448 206.0
[M+Na-2H]- 444.24530 206.6
[M]+ 423.27008 194.1
[M]- 423.27118 194.1
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.