CID 170424

2-amino-5-(4-aminophenoxy)benzamide

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)C(=O)N
InChI
InChI=1S/C13H13N3O2/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,14-15H2,(H2,16,17)
InChIKey
BYSLVGKEWPEEPI-UHFFFAOYSA-N
Compound name
2-amino-5-(4-aminophenoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

243.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.108046 153.6
[M+Na]+ 266.089988 160.8
[M-H]- 242.093494 159.7
[M+NH4]+ 261.134593 169.4
[M+K]+ 282.063928 157.2
[M+H-H2O]+ 226.098030 145.8
[M+HCOO]- 288.098971 179.1
[M+CH3COO]- 302.114621 200.3
[M+Na-2H]- 264.075436 156.8
[M]+ 243.10022142 150.0
[M]- 243.10131858 150.0
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