CID 3065820

N-phenyl-4-guanidinomethylbenzamide

Structural Information

Molecular Formula

C₁₅H₁₆N₄O

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN=C(N)N

InChI

InChI=1S/C15H16N4O/c16-15(17)18-10-11-6-8-12(9-7-11)14(20)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,19,20)(H4,16,17,18)

InChIKey

TZMFBYOZLGTVPX-UHFFFAOYSA-N

Compound name

4-[(diaminomethylideneamino)methyl]-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 268.13242 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.139696	161.4
[M+Na]+	291.121638	165.5
[M-H]-	267.125144	168.2
[M+NH4]+	286.166243	176.1
[M+K]+	307.095578	162.1
[M+H-H2O]+	251.129680	152.4
[M+HCOO]-	313.130621	188.3
[M+CH3COO]-	327.146271	208.6
[M+Na-2H]-	289.107086	165.8
[M]+	268.13187142	156.9
[M]-	268.13296858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe