CID 48864

Furisyl

Structural Information

Molecular Formula
C16H20N6O4
SMILES
C1CN1C2=NC(=NC(=N2)NC3(COC(OC3)C4=CC=CO4)CO)N5CC5
InChI
InChI=1S/C16H20N6O4/c23-8-16(9-25-12(26-10-16)11-2-1-7-24-11)20-13-17-14(21-3-4-21)19-15(18-13)22-5-6-22/h1-2,7,12,23H,3-6,8-10H2,(H,17,18,19,20)
InChIKey
PNUBYEKZUBFUQS-UHFFFAOYSA-N
Compound name
[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1546 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16188 167.8
[M+Na]+ 383.14382 181.6
[M+NH4]+ 378.18842 174.7
[M+K]+ 399.11776 181.0
[M-H]- 359.14732 186.8
[M+Na-2H]- 381.12927 179.3
[M]+ 360.15405 177.2
[M]- 360.15515 177.2
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

No patent data available for this compound.