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 166.9
[M+Na]+ 318.15499 172.0
[M-H]- 294.15849 170.7
[M+NH4]+ 313.19959 181.9
[M+K]+ 334.12893 165.3
[M+H-H2O]+ 278.16303 163.0
[M+HCOO]- 340.16397 188.8
[M+CH3COO]- 354.17962 201.4
[M+Na-2H]- 316.14044 172.4
[M]+ 295.16522 168.8
[M]- 295.16632 168.8
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.