CID 156601173

Hmmm tp339

Structural Information

Molecular Formula
C11H20N6O5
SMILES
COCNC1=NC(=NC(=N1)N(COC)COC)N(CO)C=O
InChI
InChI=1S/C11H20N6O5/c1-20-4-12-9-13-10(16(5-18)6-19)15-11(14-9)17(7-21-2)8-22-3/h5,19H,4,6-8H2,1-3H3,(H,12,13,14,15)
InChIKey
DSPHGRWZRGBFBS-UHFFFAOYSA-N
Compound name
N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1495 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15678 169.6
[M+Na]+ 339.13872 176.6
[M+NH4]+ 334.18332 172.1
[M+K]+ 355.11266 174.7
[M-H]- 315.14222 168.4
[M+Na-2H]- 337.12417 172.5
[M]+ 316.14895 169.5
[M]- 316.15005 169.5
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

No patent data available for this compound.