CID 6328253

Nadoxolol

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(C/C(=N/O)/N)O
InChI
InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16)
InChIKey
UPZVYDSBLFNMLK-UHFFFAOYSA-N
Compound name
N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3767
Patents

260.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 157.3
[M+Na]+ 283.105318 162.2
[M-H]- 259.108824 159.5
[M+NH4]+ 278.149923 173.1
[M+K]+ 299.079258 159.3
[M+H-H2O]+ 243.113360 150.1
[M+HCOO]- 305.114301 178.8
[M+CH3COO]- 319.129951 198.4
[M+Na-2H]- 281.090766 162.3
[M]+ 260.11555142 156.1
[M]- 260.11664858 156.1
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