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 209.0
[M+Na]+ 359.18020 215.1
[M-H]- 335.18370 214.1
[M+NH4]+ 354.22480 204.7
[M+K]+ 375.15414 213.0
[M+H-H2O]+ 319.18824 199.2
[M+HCOO]- 381.18918 217.8
[M+CH3COO]- 395.20483 213.1
[M+Na-2H]- 357.16565 208.1
[M]+ 336.19043 211.3
[M]- 336.19153 211.3
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.