CID 13416876

97050-99-2

Structural Information

Molecular Formula
C19H30N3O4
SMILES
CC[N+](CC)(CC)CCN1C(=O)COC2=C1C=CC(=C2)OC(=O)N(C)C
InChI
InChI=1S/C19H30N3O4/c1-6-22(7-2,8-3)12-11-21-16-10-9-15(26-19(24)20(4)5)13-17(16)25-14-18(21)23/h9-10,13H,6-8,11-12,14H2,1-5H3/q+1
InChIKey
ORJFSNGFVLGULU-UHFFFAOYSA-N
Compound name
2-[7-(dimethylcarbamoyloxy)-3-oxo-1,4-benzoxazin-4-yl]ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.22363 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23091 187.7
[M+Na]+ 387.21285 192.0
[M-H]- 363.21635 193.4
[M+NH4]+ 382.25745 199.5
[M+K]+ 403.18679 186.7
[M+H-H2O]+ 347.22089 181.8
[M+HCOO]- 409.22183 205.8
[M+CH3COO]- 423.23748 220.9
[M+Na-2H]- 385.19830 194.0
[M]+ 364.22308 192.1
[M]- 364.22418 192.1
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.