CID 13243501

86499-69-6

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 162.8
[M+Na]+ 299.13662 170.3
[M+NH4]+ 294.18122 168.1
[M+K]+ 315.11056 167.4
[M-H]- 275.14012 162.6
[M+Na-2H]- 297.12207 165.8
[M]+ 276.14685 163.5
[M]- 276.14795 163.5
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