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

57
Patents

276.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 161.4
[M+Na]+ 299.136618 165.6
[M-H]- 275.140124 164.2
[M+NH4]+ 294.181223 175.6
[M+K]+ 315.110558 167.6
[M+H-H2O]+ 259.144660 155.4
[M+HCOO]- 321.145601 177.4
[M+CH3COO]- 335.161251 199.4
[M+Na-2H]- 297.122066 165.9
[M]+ 276.14685142 156.9
[M]- 276.14794858 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