CID 393280

Nsc694946

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CCOC(=O)C1=CC(=C(N1)C2=CC(=CO2)C)C3=CN(C=C3)C(=O)C
InChI
InChI=1S/C18H18N2O4/c1-4-23-18(22)15-8-14(13-5-6-20(9-13)12(3)21)17(19-15)16-7-11(2)10-24-16/h5-10,19H,4H2,1-3H3
InChIKey
TUPBVOVSECODQX-UHFFFAOYSA-N
Compound name
ethyl 4-(1-acetylpyrrol-3-yl)-5-(4-methylfuran-2-yl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.12665 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 174.8
[M+Na]+ 349.11587 184.1
[M-H]- 325.11937 183.7
[M+NH4]+ 344.16047 189.7
[M+K]+ 365.08981 182.0
[M+H-H2O]+ 309.12391 168.1
[M+HCOO]- 371.12485 197.1
[M+CH3COO]- 385.14050 204.7
[M+Na-2H]- 347.10132 171.4
[M]+ 326.12610 180.9
[M]- 326.12720 180.9
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.