CID 512451

(3s)-10-methoxy-3-methyl-3,4-dihydro-2h-benzo[i][1,4]benzoxazepin-5-one

Structural Information

Molecular Formula
C15H15NO3
SMILES
C[C@H]1COC2=C(C=CC3=C2C=C(C=C3)OC)C(=O)N1
InChI
InChI=1S/C15H15NO3/c1-9-8-19-14-12(15(17)16-9)6-4-10-3-5-11(18-2)7-13(10)14/h3-7,9H,8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKey
KOKQTYJIFZYOEO-VIFPVBQESA-N
Compound name
(3S)-10-methoxy-3-methyl-3,4-dihydro-2H-benzo[i][1,4]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 154.0
[M+Na]+ 280.09442 161.9
[M-H]- 256.09792 159.0
[M+NH4]+ 275.13902 169.3
[M+K]+ 296.06836 163.0
[M+H-H2O]+ 240.10246 148.2
[M+HCOO]- 302.10340 170.1
[M+CH3COO]- 316.11905 165.6
[M+Na-2H]- 278.07987 160.5
[M]+ 257.10465 152.2
[M]- 257.10575 152.2
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.