CID 11174576

265136-65-0

Structural Information

Molecular Formula
C16H18N2O5
SMILES
CCOC(=O)/C=C(/COCCN1C(=O)C2=CC=CC=C2C1=O)\N
InChI
InChI=1S/C16H18N2O5/c1-2-23-14(19)9-11(17)10-22-8-7-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,9H,2,7-8,10,17H2,1H3/b11-9-
InChIKey
OEBFVKDPQVFAPH-LUAWRHEFSA-N
Compound name
ethyl (Z)-3-amino-4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

318.12158 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12886 172.4
[M+Na]+ 341.11080 179.0
[M-H]- 317.11430 174.8
[M+NH4]+ 336.15540 187.7
[M+K]+ 357.08474 176.1
[M+H-H2O]+ 301.11884 165.2
[M+HCOO]- 363.11978 192.6
[M+CH3COO]- 377.13543 208.3
[M+Na-2H]- 339.09625 172.1
[M]+ 318.12103 175.8
[M]- 318.12213 175.8
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

patents stripe