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]+ 286.118606 163.3
[M+Na]+ 308.100548 168.9
[M-H]- 284.104054 170.2
[M+NH4]+ 303.145153 177.9
[M+K]+ 324.074488 165.9
[M+H-H2O]+ 268.108590 154.5
[M+HCOO]- 330.109531 190.4
[M+CH3COO]- 344.125181 206.1
[M+Na-2H]- 306.085996 169.5
[M]+ 285.11078142 163.3
[M]- 285.11187858 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.