CID 135483904

Nsc641611

Structural Information

Molecular Formula
C24H20ClN5O3
SMILES
C1=CC=C(C=C1)/C=C/C(/C(=N/NC(=O)C2=CC=NC=C2)/C3=NC4=C(C=C(C=C4)Cl)NC3O)O
InChI
InChI=1S/C24H20ClN5O3/c25-17-7-8-18-19(14-17)28-24(33)22(27-18)21(20(31)9-6-15-4-2-1-3-5-15)29-30-23(32)16-10-12-26-13-11-16/h1-14,20,24,28,31,33H,(H,30,32)/b9-6+,29-21-
InChIKey
LEKNKTRSTKTQQF-GWSHLURKSA-N
Compound name
N-[(E)-[(E)-1-(6-chloro-3-hydroxy-3,4-dihydroquinoxalin-2-yl)-2-hydroxy-4-phenylbut-3-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.12546 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.13274 204.3
[M+Na]+ 484.11468 208.3
[M-H]- 460.11818 207.5
[M+NH4]+ 479.15928 207.3
[M+K]+ 500.08862 200.1
[M+H-H2O]+ 444.12272 193.0
[M+HCOO]- 506.12366 213.5
[M+CH3COO]- 520.13931 209.6
[M+Na-2H]- 482.10013 207.5
[M]+ 461.12491 202.0
[M]- 461.12601 202.0
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.