CID 11538420

2-furancarboxamide, 5-nitro-n-[4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-

Structural Information

Molecular Formula
C20H19N5O4
SMILES
C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=N4
InChI
InChI=1S/C20H19N5O4/c26-20(17-8-9-19(29-17)25(27)28)22-15-4-6-16(7-5-15)23-11-13-24(14-12-23)18-3-1-2-10-21-18/h1-10H,11-14H2,(H,22,26)
InChIKey
NCISQABSNSKCAV-UHFFFAOYSA-N
Compound name
5-nitro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

393.1437 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15098 188.8
[M+Na]+ 416.13292 191.0
[M-H]- 392.13642 197.8
[M+NH4]+ 411.17752 193.4
[M+K]+ 432.10686 183.2
[M+H-H2O]+ 376.14096 180.6
[M+HCOO]- 438.14190 206.4
[M+CH3COO]- 452.15755 214.7
[M+Na-2H]- 414.11837 193.2
[M]+ 393.14315 183.4
[M]- 393.14425 183.4
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

patents stripe