CID 5360985

Nadoxolol (nist)

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

3763
Patents

260.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 157.3
[M+Na]+ 283.10532 162.2
[M-H]- 259.10882 159.5
[M+NH4]+ 278.14992 173.1
[M+K]+ 299.07926 159.3
[M+H-H2O]+ 243.11336 150.1
[M+HCOO]- 305.11430 178.8
[M+CH3COO]- 319.12995 198.4
[M+Na-2H]- 281.09077 162.3
[M]+ 260.11555 156.1
[M]- 260.11665 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.