CID 5918666

Nsc635337

Structural Information

Molecular Formula
C18H15N3O4
SMILES
COC(=O)/C(=N\NC(=O)C1=CC=CC=C1O)/C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C18H15N3O4/c1-25-18(24)16(14(11-19)12-7-3-2-4-8-12)20-21-17(23)13-9-5-6-10-15(13)22/h2-10,14,22H,1H3,(H,21,23)/b20-16-
InChIKey
IAKGZCIZYVUMEZ-SILNSSARSA-N
Compound name
methyl (2Z)-3-cyano-2-[(2-hydroxybenzoyl)hydrazinylidene]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10626 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 186.8
[M+Na]+ 360.09548 192.5
[M-H]- 336.09898 191.2
[M+NH4]+ 355.14008 197.0
[M+K]+ 376.06942 189.0
[M+H-H2O]+ 320.10352 171.3
[M+HCOO]- 382.10446 205.1
[M+CH3COO]- 396.12011 222.8
[M+Na-2H]- 358.08093 186.8
[M]+ 337.10571 181.2
[M]- 337.10681 181.2
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.