CID 15491725

4-aminophenyl 4-aminobenzoate

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N)N
InChI
InChI=1S/C13H12N2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,14-15H2
InChIKey
LOCTYHIHNCOYJZ-UHFFFAOYSA-N
Compound name
(4-aminophenyl) 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1832
Patents

228.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.8
[M+Na]+ 251.07909 157.0
[M-H]- 227.08259 156.1
[M+NH4]+ 246.12369 166.6
[M+K]+ 267.05303 153.6
[M+H-H2O]+ 211.08713 142.2
[M+HCOO]- 273.08807 175.0
[M+CH3COO]- 287.10372 193.5
[M+Na-2H]- 249.06454 154.4
[M]+ 228.08932 147.4
[M]- 228.09042 147.4
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