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]+ 462.132736 204.3
[M+Na]+ 484.114678 208.3
[M-H]- 460.118184 207.5
[M+NH4]+ 479.159283 207.3
[M+K]+ 500.088618 200.1
[M+H-H2O]+ 444.122720 193.0
[M+HCOO]- 506.123661 213.5
[M+CH3COO]- 520.139311 209.6
[M+Na-2H]- 482.100126 207.5
[M]+ 461.12491142 202.0
[M]- 461.12600858 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.