CID 9557494

3-hydroxy-4-methoxybenzaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C15H15N3O3
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)NC2=CC=CC=C2)O
InChI
InChI=1S/C15H15N3O3/c1-21-14-8-7-11(9-13(14)19)10-16-18-15(20)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,17,18,20)/b16-10+
InChIKey
DBYGGPLBFRSSDE-MHWRWJLKSA-N
Compound name
1-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 166.2
[M+Na]+ 308.10055 177.1
[M+NH4]+ 303.14515 172.6
[M+K]+ 324.07449 170.8
[M-H]- 284.10405 170.8
[M+Na-2H]- 306.08600 174.1
[M]+ 285.11078 168.6
[M]- 285.11188 168.6
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.