CID 9574903

4-methoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C9H11N3O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)N
InChI
InChI=1S/C9H11N3O2/c1-14-8-4-2-7(3-5-8)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6+
InChIKey
OGMVRNVTFDFHHE-IZZDOVSWSA-N
Compound name
[(E)-(4-methoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

193.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 139.8
[M+Na]+ 216.07435 146.3
[M-H]- 192.07785 144.6
[M+NH4]+ 211.11895 158.8
[M+K]+ 232.04829 145.2
[M+H-H2O]+ 176.08239 132.7
[M+HCOO]- 238.08333 168.2
[M+CH3COO]- 252.09898 191.2
[M+Na-2H]- 214.05980 146.4
[M]+ 193.08458 139.3
[M]- 193.08568 139.3
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.