CID 135509058

Chembl2094365

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=CC(=C(C=C1)O)/C=N/NC2=CC=CC=N2
InChI
InChI=1S/C13H13N3O2/c1-18-11-5-6-12(17)10(8-11)9-15-16-13-4-2-3-7-14-13/h2-9,17H,1H3,(H,14,16)/b15-9+
InChIKey
RLGKTXSVMLLUMB-OQLLNIDSSA-N
Compound name
4-methoxy-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.10077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 152.5
[M+Na]+ 266.08999 160.0
[M-H]- 242.09349 158.3
[M+NH4]+ 261.13459 168.0
[M+K]+ 282.06393 156.5
[M+H-H2O]+ 226.09803 143.7
[M+HCOO]- 288.09897 178.7
[M+CH3COO]- 302.11462 196.5
[M+Na-2H]- 264.07544 160.7
[M]+ 243.10022 153.2
[M]- 243.10132 153.2
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.