CID 44456

1-(alpha-naphthoxy)-2-hydroxy-3-guanidinopropane sulfate

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CN=C(N)N)O
InChI
InChI=1S/C14H17N3O2/c15-14(16)17-8-11(18)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,18H,8-9H2,(H4,15,16,17)
InChIKey
IDVBJNYVKVXPKC-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 157.5
[M+Na]+ 282.12130 162.1
[M-H]- 258.12480 160.5
[M+NH4]+ 277.16590 173.5
[M+K]+ 298.09524 159.2
[M+H-H2O]+ 242.12934 149.9
[M+HCOO]- 304.13028 180.6
[M+CH3COO]- 318.14593 203.4
[M+Na-2H]- 280.10675 162.3
[M]+ 259.13153 155.0
[M]- 259.13263 155.0
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.