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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 161.4
[M+Na]+ 291.12164 165.5
[M-H]- 267.12514 168.2
[M+NH4]+ 286.16624 176.1
[M+K]+ 307.09558 162.1
[M+H-H2O]+ 251.12968 152.4
[M+HCOO]- 313.13062 188.3
[M+CH3COO]- 327.14627 208.6
[M+Na-2H]- 289.10709 165.8
[M]+ 268.13187 156.9
[M]- 268.13297 156.9
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