CID 156601180

Hmmm tp315

Structural Information

Molecular Formula
C11H18N6O5
SMILES
COCNC1=NC(=NC(=N1)N(C=O)C=O)N(COC)COC
InChI
InChI=1S/C11H18N6O5/c1-20-4-12-9-13-10(16(5-18)6-19)15-11(14-9)17(7-21-2)8-22-3/h5-6H,4,7-8H2,1-3H3,(H,12,13,14,15)
InChIKey
ZEDNIDNOYZSSMO-UHFFFAOYSA-N
Compound name
N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13388 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14116 167.1
[M+Na]+ 337.12310 173.0
[M-H]- 313.12660 169.5
[M+NH4]+ 332.16770 177.7
[M+K]+ 353.09704 174.4
[M+H-H2O]+ 297.13114 156.3
[M+HCOO]- 359.13208 192.5
[M+CH3COO]- 373.14773 218.5
[M+Na-2H]- 335.10855 173.4
[M]+ 314.13333 175.8
[M]- 314.13443 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.