CID 48863

67026-17-9

Structural Information

Molecular Formula
C15H24N6O3
SMILES
CC(C)C1OCC(CO1)(CO)NC2=NC(=NC(=N2)N3CC3)N4CC4
InChI
InChI=1S/C15H24N6O3/c1-10(2)11-23-8-15(7-22,9-24-11)19-12-16-13(20-3-4-20)18-14(17-12)21-5-6-21/h10-11,22H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKey
BVRMBCUZDYUFBT-UHFFFAOYSA-N
Compound name
[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-propan-2-yl-1,3-dioxan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.19098 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19826 162.3
[M+Na]+ 359.18020 175.0
[M+NH4]+ 354.22480 169.0
[M+K]+ 375.15414 173.5
[M-H]- 335.18370 179.0
[M+Na-2H]- 357.16565 173.1
[M]+ 336.19043 170.8
[M]- 336.19153 170.8
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.