CID 164511595

Ns00002279

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CN(C)C1CCC2C(C1)OC3=C(C(=O)CC(C3=N2)C(=O)O)O
InChI
InChI=1S/C15H20N2O5/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19/h7-9,11,19H,3-6H2,1-2H3,(H,20,21)
InChIKey
XBVGMWDTYGWKMR-UHFFFAOYSA-N
Compound name
7-(dimethylamino)-4-hydroxy-3-oxo-1,2,5a,6,7,8,9,9a-octahydrophenoxazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.144476 168.1
[M+Na]+ 331.126418 173.3
[M-H]- 307.129924 170.6
[M+NH4]+ 326.171023 181.2
[M+K]+ 347.100358 172.5
[M+H-H2O]+ 291.134460 160.8
[M+HCOO]- 353.135401 179.4
[M+CH3COO]- 367.151051 209.3
[M+Na-2H]- 329.111866 170.0
[M]+ 308.13665142 165.8
[M]- 308.13774858 165.8
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.