CID 20484942

Hmmm tp349

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
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

literature stripe

Patent stripe

patents stripe