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]+ 313.15468 174.6
[M+Na]+ 335.13662 181.8
[M-H]- 311.14012 180.7
[M+NH4]+ 330.18122 187.0
[M+K]+ 351.11056 178.3
[M+H-H2O]+ 295.14466 165.1
[M+HCOO]- 357.14560 193.3
[M+CH3COO]- 371.16125 209.7
[M+Na-2H]- 333.12207 178.8
[M]+ 312.14685 175.4
[M]- 312.14795 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.