CID 212158

23959-35-5

Structural Information

Molecular Formula
C14H20I2N2O2
SMILES
CCCCOC1=C(C=C(C=C1I)C(=O)NNC(C)C)I
InChI
InChI=1S/C14H20I2N2O2/c1-4-5-6-20-13-11(15)7-10(8-12(13)16)14(19)18-17-9(2)3/h7-9,17H,4-6H2,1-3H3,(H,18,19)
InChIKey
ABQWXCYCUFAVPU-UHFFFAOYSA-N
Compound name
4-butoxy-3,5-diiodo-N'-propan-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.96143 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.96871 189.3
[M+Na]+ 524.95065 180.3
[M-H]- 500.95415 180.7
[M+NH4]+ 519.99525 194.4
[M+K]+ 540.92459 189.9
[M+H-H2O]+ 484.95869 176.1
[M+HCOO]- 546.95963 200.1
[M+CH3COO]- 560.97528 226.4
[M+Na-2H]- 522.93610 171.7
[M]+ 501.96088 186.0
[M]- 501.96198 186.0
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.