CID 3033961

Troxolamide

Structural Information

Molecular Formula
C13H25N2O5
SMILES
CC1(CC(C(N1[O])(C)C)C(=O)NC(CO)C(CO)O)C
InChI
InChI=1S/C13H25N2O5/c1-12(2)5-8(13(3,4)15(12)20)11(19)14-9(6-16)10(18)7-17/h8-10,16-18H,5-7H2,1-4H3,(H,14,19)
InChIKey
ASRZSSHOWIMBPK-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

289.17636 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.183636 164.9
[M+Na]+ 312.165578 170.1
[M-H]- 288.169084 163.1
[M+NH4]+ 307.210183 182.8
[M+K]+ 328.139518 169.6
[M+H-H2O]+ 272.173620 161.8
[M+HCOO]- 334.174561 179.4
[M+CH3COO]- 348.190211 199.0
[M+Na-2H]- 310.151026 163.9
[M]+ 289.17581142 164.9
[M]- 289.17690858 164.9
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.