CID 12891

((p-phenylbenzyl)oxy)guanidine

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CON=C(N)N
InChI
InChI=1S/C14H15N3O/c15-14(16)17-18-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H4,15,16,17)
InChIKey
YAFAWKGEYJVRGG-UHFFFAOYSA-N
Compound name
2-[(4-phenylphenyl)methoxy]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.1215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 153.8
[M+Na]+ 264.110718 159.3
[M-H]- 240.114224 160.8
[M+NH4]+ 259.155323 170.2
[M+K]+ 280.084658 155.9
[M+H-H2O]+ 224.118760 145.3
[M+HCOO]- 286.119701 181.0
[M+CH3COO]- 300.135351 200.8
[M+Na-2H]- 262.096166 159.6
[M]+ 241.12095142 151.1
[M]- 241.12204858 151.1
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

patents stripe