CID 156601174

Hmmm tp325

Structural Information

Molecular Formula
C10H18N6O5
SMILES
COCN(COC)C1=NC(=NC(=N1)N(CO)CO)NC=O
InChI
InChI=1S/C10H18N6O5/c1-20-6-16(7-21-2)10-13-8(11-3-17)12-9(14-10)15(4-18)5-19/h3,18-19H,4-7H2,1-2H3,(H,11,12,13,14,17)
InChIKey
FEWJLIJJJNSFNR-UHFFFAOYSA-N
Compound name
N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.13388 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.141156 164.1
[M+Na]+ 325.123098 169.3
[M-H]- 301.126604 164.0
[M+NH4]+ 320.167703 173.9
[M+K]+ 341.097038 169.9
[M+H-H2O]+ 285.131140 154.0
[M+HCOO]- 347.132081 186.7
[M+CH3COO]- 361.147731 211.8
[M+Na-2H]- 323.108546 169.9
[M]+ 302.13333142 169.4
[M]- 302.13442858 169.4
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.