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 168.3
[M+Na]+ 339.13872 173.5
[M-H]- 315.14222 169.4
[M+NH4]+ 334.18332 178.2
[M+K]+ 355.11266 174.7
[M+H-H2O]+ 299.14676 157.7
[M+HCOO]- 361.14770 192.1
[M+CH3COO]- 375.16335 217.0
[M+Na-2H]- 337.12417 174.1
[M]+ 316.14895 175.8
[M]- 316.15005 175.8
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.