CID 9570017

Nsc632023

Structural Information

Molecular Formula
C25H23Cl2N5O5
SMILES
COC1=CC=C(C=C1)C(/C(=N/NC(=O)NN)/C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O
InChI
InChI=1S/C25H23Cl2N5O5/c1-36-16-7-3-13(4-8-16)20(25(35)18-11-15(26)12-19(27)22(18)29-23(25)33)21(31-32-24(34)30-28)14-5-9-17(37-2)10-6-14/h3-12,20,35H,28H2,1-2H3,(H,29,33)(H2,30,32,34)/b31-21+
InChIKey
FDKCZXRZFFRTEI-NJZRLIGZSA-N
Compound name
1-amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.1076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.11488 221.0
[M+Na]+ 566.09682 226.8
[M-H]- 542.10032 228.7
[M+NH4]+ 561.14142 228.7
[M+K]+ 582.07076 221.8
[M+H-H2O]+ 526.10486 213.6
[M+HCOO]- 588.10580 232.0
[M+CH3COO]- 602.12145 252.8
[M+Na-2H]- 564.08227 220.6
[M]+ 543.10705 225.1
[M]- 543.10815 225.1
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.