CID 135483924

Nsc636841

Structural Information

Molecular Formula
C20H17N5O3
SMILES
COC1=CC(=CC(=C1O)/C=N/NC(=O)C2=CN=CC=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C20H17N5O3/c1-28-18-11-17(24-23-16-7-3-2-4-8-16)10-15(19(18)26)13-22-25-20(27)14-6-5-9-21-12-14/h2-13,26H,1H3,(H,25,27)/b22-13+,24-23?
InChIKey
YMUJUPCWQIDGCK-WNCSPKNCSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13315 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14043 186.6
[M+Na]+ 398.12237 192.2
[M-H]- 374.12587 197.7
[M+NH4]+ 393.16697 196.5
[M+K]+ 414.09631 188.6
[M+H-H2O]+ 358.13041 174.4
[M+HCOO]- 420.13135 215.9
[M+CH3COO]- 434.14700 230.2
[M+Na-2H]- 396.10782 193.9
[M]+ 375.13260 188.8
[M]- 375.13370 188.8
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.