CID 851898

2-amino-n-(1,3-dioxaindan-5-yl)benzamide

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3N
InChI
InChI=1S/C14H12N2O3/c15-11-4-2-1-3-10(11)14(17)16-9-5-6-12-13(7-9)19-8-18-12/h1-7H,8,15H2,(H,16,17)
InChIKey
JSRJQMPXDZBFNI-UHFFFAOYSA-N
Compound name
2-amino-N-(1,3-benzodioxol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.7
[M+Na]+ 279.073998 162.9
[M-H]- 255.077504 164.6
[M+NH4]+ 274.118603 171.7
[M+K]+ 295.047938 161.7
[M+H-H2O]+ 239.082040 148.7
[M+HCOO]- 301.082981 178.6
[M+CH3COO]- 315.098631 168.4
[M+Na-2H]- 277.059446 162.1
[M]+ 256.08423142 155.6
[M]- 256.08532858 155.6
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

No patent data available for this compound.