CID 135850201

5-iodovanillin semicarbazone

Structural Information

Molecular Formula
C9H10IN3O3
SMILES
COC1=C(C(=CC(=C1)/C=N\NC(=O)N)I)O
InChI
InChI=1S/C9H10IN3O3/c1-16-7-3-5(2-6(10)8(7)14)4-12-13-9(11)15/h2-4,14H,1H3,(H3,11,13,15)/b12-4-
InChIKey
JMASRTLJHMFKEI-QCDXTXTGSA-N
Compound name
[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.97668 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.98396 167.0
[M+Na]+ 357.96590 167.2
[M-H]- 333.96940 163.9
[M+NH4]+ 353.01050 179.3
[M+K]+ 373.93984 171.3
[M+H-H2O]+ 317.97394 156.2
[M+HCOO]- 379.97488 187.9
[M+CH3COO]- 393.99053 204.1
[M+Na-2H]- 355.95135 158.0
[M]+ 334.97613 164.0
[M]- 334.97723 164.0
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.