CID 209786

20381-04-8

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC1=CC(=C(C=C1)C23CCC(=O)N2CCCO3)C
InChI
InChI=1S/C15H19NO2/c1-11-4-5-13(12(2)10-11)15-7-6-14(17)16(15)8-3-9-18-15/h4-5,10H,3,6-9H2,1-2H3
InChIKey
XSFAMKAWDRDGMU-UHFFFAOYSA-N
Compound name
8a-(2,4-dimethylphenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 155.9
[M+Na]+ 268.13081 163.5
[M-H]- 244.13431 162.5
[M+NH4]+ 263.17541 175.5
[M+K]+ 284.10475 161.0
[M+H-H2O]+ 228.13885 148.9
[M+HCOO]- 290.13979 173.1
[M+CH3COO]- 304.15544 168.1
[M+Na-2H]- 266.11626 159.4
[M]+ 245.14104 153.8
[M]- 245.14214 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.