CID 5928235

Nsc637670

Structural Information

Molecular Formula
C25H25Cl2N5O4
SMILES
COC1=CC=C(C=C1)C(/C(=N\NC(=O)NN)/C2=CC=C(C=C2)OC)C3(CNC4=C3C=C(C=C4Cl)Cl)O
InChI
InChI=1S/C25H25Cl2N5O4/c1-35-17-7-3-14(4-8-17)21(25(34)13-29-23-19(25)11-16(26)12-20(23)27)22(31-32-24(33)30-28)15-5-9-18(36-2)10-6-15/h3-12,21,29,34H,13,28H2,1-2H3,(H2,30,32,33)/b31-22-
InChIKey
UFJJBRKPPHHJOD-VAMRJTSQSA-N
Compound name
1-amino-3-[(E)-[2-(5,7-dichloro-3-hydroxy-1,2-dihydroindol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.12836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.13564 218.8
[M+Na]+ 552.11758 223.8
[M-H]- 528.12108 226.0
[M+NH4]+ 547.16218 227.0
[M+K]+ 568.09152 218.3
[M+H-H2O]+ 512.12562 211.0
[M+HCOO]- 574.12656 229.5
[M+CH3COO]- 588.14221 249.6
[M+Na-2H]- 550.10303 218.7
[M]+ 529.12781 221.7
[M]- 529.12891 221.7
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.