CID 901203

713500-90-4

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3N
InChI
InChI=1S/C15H14N2O3/c16-12-4-2-1-3-11(12)15(18)17-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9,16H2,(H,17,18)
InChIKey
QBSDHEWYPUBPOP-UHFFFAOYSA-N
Compound name
2-amino-N-(1,3-benzodioxol-5-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.5
[M+Na]+ 293.08965 167.2
[M-H]- 269.09315 169.1
[M+NH4]+ 288.13425 175.8
[M+K]+ 309.06359 165.7
[M+H-H2O]+ 253.09769 153.2
[M+HCOO]- 315.09863 183.0
[M+CH3COO]- 329.11428 172.7
[M+Na-2H]- 291.07510 166.3
[M]+ 270.09988 160.7
[M]- 270.10098 160.7
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

No patent data available for this compound.