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

literature stripe

Patent stripe

patents stripe