CID 16758228

1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine

Structural Information

Molecular Formula
C15H15N3O
SMILES
C1=CC=C(C=C1)C(=O)CC2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)
InChIKey
MERNPSIIBFTCAI-UHFFFAOYSA-N
Compound name
2-(4-phenacylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 158.4
[M+Na]+ 276.11072 163.4
[M-H]- 252.11422 165.3
[M+NH4]+ 271.15532 174.1
[M+K]+ 292.08466 159.8
[M+H-H2O]+ 236.11876 149.9
[M+HCOO]- 298.11970 184.4
[M+CH3COO]- 312.13535 203.9
[M+Na-2H]- 274.09617 162.3
[M]+ 253.12095 154.7
[M]- 253.12205 154.7
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