CID 135559914

4-hydroxy-3-methoxybenzaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C15H15N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)NC2=CC=CC=C2)O
InChI
InChI=1S/C15H15N3O3/c1-21-14-9-11(7-8-13(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
DGBYGHBXPVTSLR-MHWRWJLKSA-N
Compound name
1-[(E)-(4-hydroxy-3-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 163.3
[M+Na]+ 308.10055 168.9
[M-H]- 284.10405 170.2
[M+NH4]+ 303.14515 177.9
[M+K]+ 324.07449 165.9
[M+H-H2O]+ 268.10859 154.5
[M+HCOO]- 330.10953 190.4
[M+CH3COO]- 344.12518 206.1
[M+Na-2H]- 306.08600 169.5
[M]+ 285.11078 163.3
[M]- 285.11188 163.3
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.