CID 6907492

4-(benzyloxy)-3-methoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C16H17N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)N)OCC2=CC=CC=C2
InChI
InChI=1S/C16H17N3O3/c1-21-15-9-13(10-18-19-16(17)20)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,19,20)/b18-10+
InChIKey
AUNGYZXTMLWWPP-VCHYOVAHSA-N
Compound name
[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.134256 168.0
[M+Na]+ 322.116198 173.5
[M-H]- 298.119704 175.5
[M+NH4]+ 317.160803 182.3
[M+K]+ 338.090138 170.8
[M+H-H2O]+ 282.124240 158.7
[M+HCOO]- 344.125181 195.6
[M+CH3COO]- 358.140831 211.5
[M+Na-2H]- 320.101646 173.0
[M]+ 299.12643142 169.3
[M]- 299.12752858 169.3
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.