CID 135472364

Schembl6721105

Structural Information

Molecular Formula
C20H14N4O2
SMILES
C1=CC2=C(N=C(C=C2)/C=N/N=C/C3=NC4=C(C=C3)C=CC=C4O)C(=C1)O
InChI
InChI=1S/C20H14N4O2/c25-17-5-1-3-13-7-9-15(23-19(13)17)11-21-22-12-16-10-8-14-4-2-6-18(26)20(14)24-16/h1-12,25-26H/b21-11+,22-12+
InChIKey
YHMATFVKGDTTQB-XHQRYOPUSA-N
Compound name
2-[(E)-[(E)-(8-hydroxyquinolin-2-yl)methylidenehydrazinylidene]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

342.11166 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 178.8
[M+Na]+ 365.10088 188.7
[M-H]- 341.10438 185.2
[M+NH4]+ 360.14548 190.7
[M+K]+ 381.07482 181.5
[M+H-H2O]+ 325.10892 167.7
[M+HCOO]- 387.10986 201.8
[M+CH3COO]- 401.12551 189.5
[M+Na-2H]- 363.08633 189.3
[M]+ 342.11111 181.0
[M]- 342.11221 181.0
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

patents stripe