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

2
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

patents stripe