CID 45053515

N-((z)-2-[5-(3-nitrophenyl)-2-furyl]-1-{[(4-pyridinylmethyl)amino]carbonyl}ethenyl)benzamide

Structural Information

Molecular Formula
C26H20N4O5
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)NCC4=CC=NC=C4
InChI
InChI=1S/C26H20N4O5/c31-25(19-5-2-1-3-6-19)29-23(26(32)28-17-18-11-13-27-14-12-18)16-22-9-10-24(35-22)20-7-4-8-21(15-20)30(33)34/h1-16H,17H2,(H,28,32)(H,29,31)/b23-16-
InChIKey
QRHAHKWTCPTKNS-KQWNVCNZSA-N
Compound name
N-[(Z)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.14337 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.15065 209.9
[M+Na]+ 491.13259 210.1
[M-H]- 467.13609 221.2
[M+NH4]+ 486.17719 213.2
[M+K]+ 507.10653 202.4
[M+H-H2O]+ 451.14063 202.2
[M+HCOO]- 513.14157 231.7
[M+CH3COO]- 527.15722 230.3
[M+Na-2H]- 489.11804 213.1
[M]+ 468.14282 207.2
[M]- 468.14392 207.2
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.