CID 57603619

29798-60-5

Structural Information

Molecular Formula
C12H24N6O6
SMILES
COCN(CO)C1=NC(=NC(=N1)N(CO)COC)N(CO)COC
InChI
InChI=1S/C12H24N6O6/c1-22-7-16(4-19)10-13-11(17(5-20)8-23-2)15-12(14-10)18(6-21)9-24-3/h19-21H,4-9H2,1-3H3
InChIKey
OJDDPVKYGRYJAD-UHFFFAOYSA-N
Compound name
[[4,6-bis[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

348.17572 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18300 175.6
[M+Na]+ 371.16494 179.2
[M-H]- 347.16844 175.3
[M+NH4]+ 366.20954 183.5
[M+K]+ 387.13888 181.4
[M+H-H2O]+ 331.17298 165.1
[M+HCOO]- 393.17392 196.7
[M+CH3COO]- 407.18957 221.6
[M+Na-2H]- 369.15039 179.7
[M]+ 348.17517 183.2
[M]- 348.17627 183.2
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

patents stripe