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

32
Patents

348.17572 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.182996 175.6
[M+Na]+ 371.164938 179.2
[M-H]- 347.168444 175.3
[M+NH4]+ 366.209543 183.5
[M+K]+ 387.138878 181.4
[M+H-H2O]+ 331.172980 165.1
[M+HCOO]- 393.173921 196.7
[M+CH3COO]- 407.189571 221.6
[M+Na-2H]- 369.150386 179.7
[M]+ 348.17517142 183.2
[M]- 348.17626858 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