CID 392538

Nsc693054

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3)CC=C)O
InChI
InChI=1S/C18H23N3O4/c1-4-7-21-8-6-18(23,11-21)13-10-14(17(22)24-5-2)19-16(13)15-9-12(3)20-25-15/h4,9-10,19,23H,1,5-8,11H2,2-3H3
InChIKey
ZTNCVERONIXYMS-UHFFFAOYSA-N
Compound name
ethyl 4-(3-hydroxy-1-prop-2-enylpyrrolidin-3-yl)-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.16885 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 178.5
[M+Na]+ 368.15807 186.5
[M-H]- 344.16157 184.1
[M+NH4]+ 363.20267 192.5
[M+K]+ 384.13201 183.5
[M+H-H2O]+ 328.16611 171.6
[M+HCOO]- 390.16705 196.3
[M+CH3COO]- 404.18270 205.2
[M+Na-2H]- 366.14352 175.3
[M]+ 345.16830 181.6
[M]- 345.16940 181.6
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.