CID 6474149

Nsc658915

Structural Information

Molecular Formula
C26H19ClN4O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NNC3=C4C=CC(=CC4=NC=C3)Cl)\NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C26H19ClN4O4/c27-18-7-8-19-20(10-11-28-21(19)14-18)30-31-26(33)22(29-25(32)17-4-2-1-3-5-17)12-16-6-9-23-24(13-16)35-15-34-23/h1-14H,15H2,(H,28,30)(H,29,32)(H,31,33)/b22-12-
InChIKey
DVKNXIXAETYDAF-UUYOSTAYSA-N
Compound name
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[2-(7-chloroquinolin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1095 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.11678 213.3
[M+Na]+ 509.09872 217.7
[M-H]- 485.10222 224.0
[M+NH4]+ 504.14332 219.0
[M+K]+ 525.07266 213.7
[M+H-H2O]+ 469.10676 203.1
[M+HCOO]- 531.10770 226.9
[M+CH3COO]- 545.12335 220.5
[M+Na-2H]- 507.08417 216.7
[M]+ 486.10895 215.9
[M]- 486.11005 215.9
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.