CID 178199983

Tert-butyl 1-oxo-2,3,4,5-tetrahydro-1h-3-benzazepine-3-carboxylate

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C(=O)C1
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-9-8-11-6-4-5-7-12(11)13(17)10-16/h4-7H,8-10H2,1-3H3
InChIKey
HGRBCRDCLXGAOL-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-2,4-dihydro-1H-3-benzazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 155.4
[M+Na]+ 284.125718 160.9
[M-H]- 260.129224 159.6
[M+NH4]+ 279.170323 171.2
[M+K]+ 300.099658 163.2
[M+H-H2O]+ 244.133760 149.8
[M+HCOO]- 306.134701 171.9
[M+CH3COO]- 320.150351 197.0
[M+Na-2H]- 282.111166 160.1
[M]+ 261.13595142 153.3
[M]- 261.13704858 153.3
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

No patent data available for this compound.