CID 13416882

97051-02-0

Structural Information

Molecular Formula
C20H30N3O4
SMILES
CC[N+]1(CCCCC1)CCN2C(=O)COC3=C2C=C(C=C3)OC(=O)N(C)C
InChI
InChI=1S/C20H30N3O4/c1-4-23(11-6-5-7-12-23)13-10-22-17-14-16(27-20(25)21(2)3)8-9-18(17)26-15-19(22)24/h8-9,14H,4-7,10-13,15H2,1-3H3/q+1
InChIKey
MMXFFUIFARBZRK-UHFFFAOYSA-N
Compound name
[4-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-3-oxo-1,4-benzoxazin-6-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22363 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23091 190.8
[M+Na]+ 399.21285 193.7
[M-H]- 375.21635 195.9
[M+NH4]+ 394.25745 201.3
[M+K]+ 415.18679 187.0
[M+H-H2O]+ 359.22089 183.0
[M+HCOO]- 421.22183 203.1
[M+CH3COO]- 435.23748 215.3
[M+Na-2H]- 397.19830 194.9
[M]+ 376.22308 188.7
[M]- 376.22418 188.7
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.