CID 3050354

Brn 1463876

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CNC(=O)N1CC2=CC=CC=C2CCC1=O
InChI
InChI=1S/C12H14N2O2/c1-13-12(16)14-8-10-5-3-2-4-9(10)6-7-11(14)15/h2-5H,6-8H2,1H3,(H,13,16)
InChIKey
YAQRYOIJMHIUCO-UHFFFAOYSA-N
Compound name
N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 145.9
[M+Na]+ 241.09475 155.3
[M+NH4]+ 236.13935 152.8
[M+K]+ 257.06869 151.2
[M-H]- 217.09825 147.4
[M+Na-2H]- 239.08020 150.8
[M]+ 218.10498 147.4
[M]- 218.10608 147.4
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

patents stripe