CID 24279223

7-amino-4-[3-(4-methylphenoxy)propyl]-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1=CC=C(C=C1)OCCCN2C(=O)COC3=C2C=CC(=C3)N
InChI
InChI=1S/C18H20N2O3/c1-13-3-6-15(7-4-13)22-10-2-9-20-16-8-5-14(19)11-17(16)23-12-18(20)21/h3-8,11H,2,9-10,12,19H2,1H3
InChIKey
QKIDZVDWDRLUGU-UHFFFAOYSA-N
Compound name
7-amino-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 174.6
[M+Na]+ 335.136618 181.8
[M-H]- 311.140124 180.7
[M+NH4]+ 330.181223 187.0
[M+K]+ 351.110558 178.3
[M+H-H2O]+ 295.144660 165.1
[M+HCOO]- 357.145601 193.3
[M+CH3COO]- 371.161251 209.7
[M+Na-2H]- 333.122066 178.8
[M]+ 312.14685142 175.4
[M]- 312.14794858 175.4
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.