CID 20318181

Hmmm tp363

Structural Information

Molecular Formula
C13H26N6O6
SMILES
COCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(COC)COC
InChI
InChI=1S/C13H26N6O6/c1-22-7-18(8-23-2)12-14-11(17(5-20)6-21)15-13(16-12)19(9-24-3)10-25-4/h20-21H,5-10H2,1-4H3
InChIKey
GSRBPSZSSSOAHJ-UHFFFAOYSA-N
Compound name
[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

362.19138 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19866 180.0
[M+Na]+ 385.18060 183.5
[M-H]- 361.18410 180.8
[M+NH4]+ 380.22520 188.0
[M+K]+ 401.15454 186.3
[M+H-H2O]+ 345.18864 169.0
[M+HCOO]- 407.18958 202.2
[M+CH3COO]- 421.20523 226.7
[M+Na-2H]- 383.16605 184.0
[M]+ 362.19083 189.8
[M]- 362.19193 189.8
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

patents stripe