CID 3008885

1-(3-phenoxyphenyl)guanidine

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)N=C(N)N
InChI
InChI=1S/C13H13N3O/c14-13(15)16-10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,(H4,14,15,16)
InChIKey
YWWKTHBYXSAYQE-UHFFFAOYSA-N
Compound name
2-(3-phenoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

227.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.3
[M+Na]+ 250.09509 155.2
[M-H]- 226.09859 156.5
[M+NH4]+ 245.13969 166.3
[M+K]+ 266.06903 152.1
[M+H-H2O]+ 210.10313 141.1
[M+HCOO]- 272.10407 176.8
[M+CH3COO]- 286.11972 197.8
[M+Na-2H]- 248.08054 155.6
[M]+ 227.10532 146.2
[M]- 227.10642 146.2
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.