CID 13285535

Haemoglobin

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CO3
InChI
InChI=1S/C13H10N2O2/c1-8-4-5-9-11(16)7-10(15-13(9)14-8)12-3-2-6-17-12/h2-7H,1H3,(H,14,15,16)
InChIKey
INGWEZCOABYORO-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1503
References

21337
Patents

226.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 146.5
[M+Na]+ 249.06345 158.7
[M-H]- 225.06695 152.2
[M+NH4]+ 244.10805 163.2
[M+K]+ 265.03739 154.5
[M+H-H2O]+ 209.07149 138.8
[M+HCOO]- 271.07243 168.8
[M+CH3COO]- 285.08808 160.4
[M+Na-2H]- 247.04890 154.2
[M]+ 226.07368 149.4
[M]- 226.07478 149.4
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

patents stripe