CID 37331

3-hydroxy-4-(1-naphthalenyloxy)butanimidamide hydrochloride

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CC(=N)N)O
InChI
InChI=1S/C14H16N2O2/c15-14(16)8-11(17)9-18-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17H,8-9H2,(H3,15,16)
InChIKey
TWKROFURITYQHX-UHFFFAOYSA-N
Compound name
3-hydroxy-4-naphthalen-1-yloxybutanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.3
[M+Na]+ 267.11041 159.3
[M-H]- 243.11391 156.6
[M+NH4]+ 262.15501 170.9
[M+K]+ 283.08435 155.8
[M+H-H2O]+ 227.11845 147.4
[M+HCOO]- 289.11939 175.6
[M+CH3COO]- 303.13504 196.9
[M+Na-2H]- 265.09586 159.3
[M]+ 244.12064 151.8
[M]- 244.12174 151.8
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

No patent data available for this compound.