CID 15597652

109114-20-7

Structural Information

Molecular Formula
C7H14N6O2
SMILES
C(COCCO)NC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H14N6O2/c8-5-11-6(9)13-7(12-5)10-1-3-15-4-2-14/h14H,1-4H2,(H5,8,9,10,11,12,13)
InChIKey
UWCHSXAUFIEWOJ-UHFFFAOYSA-N
Compound name
2-[2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

214.11783 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.125106 145.2
[M+Na]+ 237.107048 152.3
[M-H]- 213.110554 143.1
[M+NH4]+ 232.151653 158.0
[M+K]+ 253.080988 149.7
[M+H-H2O]+ 197.115090 136.4
[M+HCOO]- 259.116031 167.3
[M+CH3COO]- 273.131681 191.7
[M+Na-2H]- 235.092496 152.0
[M]+ 214.11728142 143.5
[M]- 214.11837858 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe