CID 13243501

Tert-butyl n-(2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-3-yl)carbamate

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2NC1=O
InChI
InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-12-9-8-10-6-4-5-7-11(10)16-13(12)18/h4-7,12H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
KMQMLZIXVMSMOI-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

276.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 161.4
[M+Na]+ 299.13662 165.6
[M-H]- 275.14012 164.2
[M+NH4]+ 294.18122 175.6
[M+K]+ 315.11056 167.6
[M+H-H2O]+ 259.14466 155.4
[M+HCOO]- 321.14560 177.4
[M+CH3COO]- 335.16125 199.4
[M+Na-2H]- 297.12207 165.9
[M]+ 276.14685 156.9
[M]- 276.14795 156.9
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