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]+ 293.088056 161.6
[M+Na]+ 315.069998 167.1
[M-H]- 291.073504 165.6
[M+NH4]+ 310.114603 172.4
[M+K]+ 331.043938 161.4
[M+H-H2O]+ 275.078040 157.1
[M+HCOO]- 337.078981 184.1
[M+CH3COO]- 351.094631 192.9
[M+Na-2H]- 313.055446 168.7
[M]+ 292.08023142 161.6
[M]- 292.08132858 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.