CID 83757

13822-63-4

Structural Information

Molecular Formula
C14H28N6O6
SMILES
COCN(CO)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC
InChI
InChI=1S/C14H28N6O6/c1-22-7-18(6-21)12-15-13(19(8-23-2)9-24-3)17-14(16-12)20(10-25-4)11-26-5/h21H,6-11H2,1-5H3
InChIKey
JQALNNOQTGZTJZ-UHFFFAOYSA-N
Compound name
[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

827
Patents

376.20703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21431 184.4
[M+Na]+ 399.19625 187.9
[M-H]- 375.19975 186.4
[M+NH4]+ 394.24085 192.5
[M+K]+ 415.17019 191.2
[M+H-H2O]+ 359.20429 173.0
[M+HCOO]- 421.20523 207.7
[M+CH3COO]- 435.22088 231.8
[M+Na-2H]- 397.18170 188.4
[M]+ 376.20648 196.4
[M]- 376.20758 196.4
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

patents stripe