CID 155905758

Cwi1-2

Structural Information

Molecular Formula
C22H17Cl3N6O3
SMILES
C1=CC(=C(C=C1Cl)/C=N/NC(=N/N=C/C2=C(C=CC(=C2)Cl)O)N/N=C\C3=C(C=CC(=C3)Cl)O)O
InChI
InChI=1S/C22H17Cl3N6O3/c23-16-1-4-19(32)13(7-16)10-26-29-22(30-27-11-14-8-17(24)2-5-20(14)33)31-28-12-15-9-18(25)3-6-21(15)34/h1-12,32-34H,(H2,29,30,31)/b26-10-,27-11+,28-12+
InChIKey
ZNYMTTHEJHXHNS-FGORHZQOSA-N
Compound name
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

518.0428 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.05008 220.6
[M+Na]+ 541.03202 232.7
[M+NH4]+ 536.07662 225.5
[M+K]+ 557.00596 223.4
[M-H]- 517.03552 227.7
[M+Na-2H]- 539.01747 228.1
[M]+ 518.04225 224.8
[M]- 518.04335 224.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.