CID 212156

3,5-diiodo-4-isopropoxybenzoic acid 2-isopropylhydrazide monohydrochloride

Structural Information

Molecular Formula
C13H18I2N2O2
SMILES
CC(C)NNC(=O)C1=CC(=C(C(=C1)I)OC(C)C)I
InChI
InChI=1S/C13H18I2N2O2/c1-7(2)16-17-13(18)9-5-10(14)12(11(15)6-9)19-8(3)4/h5-8,16H,1-4H3,(H,17,18)
InChIKey
XQHKQMDHAJXGPU-UHFFFAOYSA-N
Compound name
3,5-diiodo-N'-propan-2-yl-4-propan-2-yloxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.94577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.95305 183.6
[M+Na]+ 510.93499 174.8
[M-H]- 486.93849 175.4
[M+NH4]+ 505.97959 189.2
[M+K]+ 526.90893 185.0
[M+H-H2O]+ 470.94303 170.8
[M+HCOO]- 532.94397 194.0
[M+CH3COO]- 546.95962 224.8
[M+Na-2H]- 508.92044 165.7
[M]+ 487.94522 179.6
[M]- 487.94632 179.6
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.