CID 2908630

380906-40-1

Structural Information

Molecular Formula
C20H18N4O4
SMILES
C1=COC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=NC=C3)CCCN4C=CN=C4)O
InChI
InChI=1S/C20H18N4O4/c25-18(15-3-1-12-28-15)16-17(14-4-6-21-7-5-14)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17,26H,2,9-10H2
InChIKey
ZJFAFZRLJSZJIN-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

378.1328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14008 184.0
[M+Na]+ 401.12202 192.5
[M-H]- 377.12552 193.3
[M+NH4]+ 396.16662 193.2
[M+K]+ 417.09596 189.0
[M+H-H2O]+ 361.13006 174.5
[M+HCOO]- 423.13100 203.7
[M+CH3COO]- 437.14665 194.5
[M+Na-2H]- 399.10747 180.9
[M]+ 378.13225 188.5
[M]- 378.13335 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.