CID 15955767

2-[(1-benzyl-2-methoxy-ethyl)amino]-5-methyl-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)NC(CC3=CC=CC=C3)COC
InChI
InChI=1S/C19H20N2O3/c1-13-7-6-10-16-17(13)18(22)24-19(21-16)20-15(12-23-2)11-14-8-4-3-5-9-14/h3-10,15H,11-12H2,1-2H3,(H,20,21)
InChIKey
TYTHJUZPDJXKBZ-UHFFFAOYSA-N
Compound name
2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 176.9
[M+Na]+ 347.13662 184.4
[M-H]- 323.14012 183.8
[M+NH4]+ 342.18122 188.9
[M+K]+ 363.11056 181.1
[M+H-H2O]+ 307.14466 167.0
[M+HCOO]- 369.14560 197.7
[M+CH3COO]- 383.16125 212.2
[M+Na-2H]- 345.12207 183.1
[M]+ 324.14685 180.8
[M]- 324.14795 180.8
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.