CID 212152

4-(allyloxy)-3,5-diiodobenzoic acid 2-isopropylhydrazide monohydrochloride

Structural Information

Molecular Formula
C13H16I2N2O2
SMILES
CC(C)NNC(=O)C1=CC(=C(C(=C1)I)OCC=C)I
InChI
InChI=1S/C13H16I2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h4,6-8,16H,1,5H2,2-3H3,(H,17,18)
InChIKey
QBYYVMABYJGIKT-UHFFFAOYSA-N
Compound name
3,5-diiodo-N'-propan-2-yl-4-prop-2-enoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9301 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.93738 182.6
[M+Na]+ 508.91932 174.2
[M-H]- 484.92282 174.2
[M+NH4]+ 503.96392 188.2
[M+K]+ 524.89326 183.5
[M+H-H2O]+ 468.92736 169.7
[M+HCOO]- 530.92830 193.9
[M+CH3COO]- 544.94395 223.5
[M+Na-2H]- 506.90477 165.6
[M]+ 485.92955 178.5
[M]- 485.93065 178.5
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.