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]+ 271.107706 160.5
[M+Na]+ 293.089648 167.2
[M-H]- 269.093154 169.1
[M+NH4]+ 288.134253 175.8
[M+K]+ 309.063588 165.7
[M+H-H2O]+ 253.097690 153.2
[M+HCOO]- 315.098631 183.0
[M+CH3COO]- 329.114281 172.7
[M+Na-2H]- 291.075096 166.3
[M]+ 270.09988142 160.7
[M]- 270.10097858 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.