CID 55906

2'-carbomethoxyphenyl 4-guanidinobenzoate

Structural Information

Molecular Formula
C16H15N3O4
SMILES
COC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C16H15N3O4/c1-22-15(21)12-4-2-3-5-13(12)23-14(20)10-6-8-11(9-7-10)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
InChIKey
QFHVTOHRBHBYIA-UHFFFAOYSA-N
Compound name
methyl 2-[4-(diaminomethylideneamino)benzoyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1
Patents

313.10626 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 172.1
[M+Na]+ 336.09548 181.6
[M+NH4]+ 331.14008 177.3
[M+K]+ 352.06942 177.4
[M-H]- 312.09898 175.7
[M+Na-2H]- 334.08093 178.2
[M]+ 313.10571 173.9
[M]- 313.10681 173.9
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