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]+ 319.23802 173.8
[M+Na]+ 341.21996 176.8
[M-H]- 317.22346 178.6
[M+NH4]+ 336.26456 187.7
[M+K]+ 357.19390 179.9
[M+H-H2O]+ 301.22800 166.6
[M+HCOO]- 363.22894 190.5
[M+CH3COO]- 377.24459 218.4
[M+Na-2H]- 339.20541 173.5
[M]+ 318.23019 173.3
[M]- 318.23129 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.