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]+ 257.09206 155.7
[M+Na]+ 279.07400 162.9
[M-H]- 255.07750 164.6
[M+NH4]+ 274.11860 171.7
[M+K]+ 295.04794 161.7
[M+H-H2O]+ 239.08204 148.7
[M+HCOO]- 301.08298 178.6
[M+CH3COO]- 315.09863 168.4
[M+Na-2H]- 277.05945 162.1
[M]+ 256.08423 155.6
[M]- 256.08533 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.