CID 52149

73680-82-7

Structural Information

Molecular Formula
C15H23N2O4
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+](C)(C)C)O
InChI
InChI=1S/C15H22N2O4/c1-5-21-15(20)12-7-6-11(10-13(12)18)16-14(19)8-9-17(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H-,16,18,19,20)/p+1
InChIKey
SAGOVCHVIPELNM-UHFFFAOYSA-O
Compound name
[3-(4-ethoxycarbonyl-3-hydroxyanilino)-3-oxopropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17305 167.1
[M+Na]+ 318.15499 177.5
[M+NH4]+ 313.19959 173.3
[M+K]+ 334.12893 174.3
[M-H]- 294.15849 169.2
[M+Na-2H]- 316.14044 171.6
[M]+ 295.16522 169.2
[M]- 295.16632 169.2
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.