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 203.5
[M+Na]+ 383.14382 210.5
[M-H]- 359.14732 211.9
[M+NH4]+ 378.18842 198.4
[M+K]+ 399.11776 209.4
[M+H-H2O]+ 343.15186 194.3
[M+HCOO]- 405.15280 213.6
[M+CH3COO]- 419.16845 208.6
[M+Na-2H]- 381.12927 203.1
[M]+ 360.15405 206.8
[M]- 360.15515 206.8
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.