CID 26569

P-amidinobenzoic acid benzyl ester

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C15H14N2O2/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,16,17)
InChIKey
WGYXJBNWUHLUEU-UHFFFAOYSA-N
Compound name
benzyl 4-carbamimidoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 159.0
[M+Na]+ 277.09475 170.7
[M+NH4]+ 272.13935 166.3
[M+K]+ 293.06869 164.4
[M-H]- 253.09825 163.5
[M+Na-2H]- 275.08020 167.2
[M]+ 254.10498 161.7
[M]- 254.10608 161.7
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