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

1568
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 150.8
[M+Na]+ 251.07909 163.3
[M+NH4]+ 246.12369 158.7
[M+K]+ 267.05303 157.1
[M-H]- 227.08259 155.7
[M+Na-2H]- 249.06454 159.3
[M]+ 228.08932 153.8
[M]- 228.09042 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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