CID 20463987

Hmmm tp311

Structural Information

Molecular Formula
C10H20N6O4
SMILES
COCN(CO)C1=NC(=NC(=N1)N)N(COC)COC
InChI
InChI=1S/C10H20N6O4/c1-18-5-15(4-17)9-12-8(11)13-10(14-9)16(6-19-2)7-20-3/h17H,4-7H2,1-3H3,(H2,11,12,13,14)
InChIKey
QMMGPJGNVGPLON-UHFFFAOYSA-N
Compound name
[[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.1546 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16188 163.5
[M+Na]+ 311.14382 169.1
[M-H]- 287.14732 164.3
[M+NH4]+ 306.18842 174.6
[M+K]+ 327.11776 170.2
[M+H-H2O]+ 271.15186 153.4
[M+HCOO]- 333.15280 186.7
[M+CH3COO]- 347.16845 212.1
[M+Na-2H]- 309.12927 168.6
[M]+ 288.15405 169.1
[M]- 288.15515 169.1
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