CID 6063870

898-18-0

Structural Information

Molecular Formula
C12H12N4O5
SMILES
C1=CN=C(N=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])N(CO)CO
InChI
InChI=1S/C12H12N4O5/c17-7-15(8-18)12-13-6-5-9(14-12)1-2-10-3-4-11(21-10)16(19)20/h1-6,17-18H,7-8H2/b2-1+
InChIKey
JMXHNVBNSBJLLD-OWOJBTEDSA-N
Compound name
[hydroxymethyl-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08078 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08806 161.6
[M+Na]+ 315.07000 167.1
[M-H]- 291.07350 165.6
[M+NH4]+ 310.11460 172.4
[M+K]+ 331.04394 161.4
[M+H-H2O]+ 275.07804 157.1
[M+HCOO]- 337.07898 184.1
[M+CH3COO]- 351.09463 192.9
[M+Na-2H]- 313.05545 168.7
[M]+ 292.08023 161.6
[M]- 292.08133 161.6
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.