CID 212210

Benzoic acid, 3,5-diiodo-4-methoxy-, 2-isopropylhydrazide, monohydrochloride

Structural Information

Molecular Formula
C11H14I2N2O2
SMILES
CC(C)NNC(=O)C1=CC(=C(C(=C1)I)OC)I
InChI
InChI=1S/C11H14I2N2O2/c1-6(2)14-15-11(16)7-4-8(12)10(17-3)9(13)5-7/h4-6,14H,1-3H3,(H,15,16)
InChIKey
CPGMAKDNMDOTFJ-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-methoxy-N'-propan-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.91446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.92174 175.5
[M+Na]+ 482.90368 167.6
[M-H]- 458.90718 167.4
[M+NH4]+ 477.94828 182.0
[M+K]+ 498.87762 177.7
[M+H-H2O]+ 442.91172 162.8
[M+HCOO]- 504.91266 187.2
[M+CH3COO]- 518.92831 219.4
[M+Na-2H]- 480.88913 159.4
[M]+ 459.91391 171.4
[M]- 459.91501 171.4
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.