CID 135648170

364051-54-7

Structural Information

Molecular Formula
C17H16ClN3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2Cl)O
InChI
InChI=1S/C17H16ClN3O4/c1-25-15-8-11(6-7-14(15)22)9-20-21-16(23)10-19-17(24)12-4-2-3-5-13(12)18/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)/b20-9+
InChIKey
WCRKLVPHFQMDBJ-AWQFTUOYSA-N
Compound name
2-chloro-N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08295 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09023 181.9
[M+Na]+ 384.07217 188.2
[M-H]- 360.07567 188.8
[M+NH4]+ 379.11677 194.4
[M+K]+ 400.04611 183.8
[M+H-H2O]+ 344.08021 173.9
[M+HCOO]- 406.08115 203.3
[M+CH3COO]- 420.09680 219.4
[M+Na-2H]- 382.05762 184.7
[M]+ 361.08240 185.6
[M]- 361.08350 185.6
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.