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

1
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 144.5
[M+Na]+ 241.09475 150.0
[M-H]- 217.09825 148.8
[M+NH4]+ 236.13935 161.5
[M+K]+ 257.06869 152.0
[M+H-H2O]+ 201.10279 138.2
[M+HCOO]- 263.10373 164.1
[M+CH3COO]- 277.11938 191.4
[M+Na-2H]- 239.08020 150.0
[M]+ 218.10498 139.8
[M]- 218.10608 139.8
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