CID 41245

Brn 1493284

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)N(CCN1C(=O)CCCC2=C1C=CC(=C2)OC)C(C)C
InChI
InChI=1S/C19H30N2O2/c1-14(2)20(15(3)4)11-12-21-18-10-9-17(23-5)13-16(18)7-6-8-19(21)22/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKey
KXWARPSMGAVRQE-UHFFFAOYSA-N
Compound name
1-[2-[di(propan-2-yl)amino]ethyl]-7-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 173.8
[M+Na]+ 341.219958 176.8
[M-H]- 317.223464 178.6
[M+NH4]+ 336.264563 187.7
[M+K]+ 357.193898 179.9
[M+H-H2O]+ 301.228000 166.6
[M+HCOO]- 363.228941 190.5
[M+CH3COO]- 377.244591 218.4
[M+Na-2H]- 339.205406 173.5
[M]+ 318.23019142 173.3
[M]- 318.23128858 173.3
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.