CID 393081

Nsc694466

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3CCN(C3=O)CC=C
InChI
InChI=1S/C18H21N3O4/c1-4-7-21-8-6-12(17(21)22)13-10-14(18(23)24-5-2)19-16(13)15-9-11(3)20-25-15/h4,9-10,12,19H,1,5-8H2,2-3H3
InChIKey
LCPLACSTDUORKO-UHFFFAOYSA-N
Compound name
ethyl 5-(3-methyl-1,2-oxazol-5-yl)-4-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1532 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 179.9
[M+Na]+ 366.14242 188.5
[M-H]- 342.14592 186.9
[M+NH4]+ 361.18702 192.8
[M+K]+ 382.11636 185.4
[M+H-H2O]+ 326.15046 172.4
[M+HCOO]- 388.15140 199.2
[M+CH3COO]- 402.16705 208.5
[M+Na-2H]- 364.12787 174.8
[M]+ 343.15265 184.0
[M]- 343.15375 184.0
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.