CID 3050092

Brn 0561316

Structural Information

Molecular Formula
C11H18N6O3
SMILES
C1CN1C2=NC(=NC(=N2)NC(CO)(CO)CO)N3CC3
InChI
InChI=1S/C11H18N6O3/c18-5-11(6-19,7-20)15-8-12-9(16-1-2-16)14-10(13-8)17-3-4-17/h18-20H,1-7H2,(H,12,13,14,15)
InChIKey
NEFYOYZVLOKGOD-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14404 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15132 193.8
[M+Na]+ 305.13326 201.1
[M-H]- 281.13676 193.9
[M+NH4]+ 300.17786 191.3
[M+K]+ 321.10720 193.5
[M+H-H2O]+ 265.14130 185.9
[M+HCOO]- 327.14224 206.0
[M+CH3COO]- 341.15789 205.7
[M+Na-2H]- 303.11871 195.5
[M]+ 282.14349 195.8
[M]- 282.14459 195.8
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

No patent data available for this compound.