CID 3024297

4-(((3,5-dibromo-2-hydroxyphenyl)imino)methyl)-6-hexylresorcinol

Structural Information

Molecular Formula
C19H21Br2NO3
SMILES
CCCCCCC1=CC(=C(C=C1O)O)C=NC2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C19H21Br2NO3/c1-2-3-4-5-6-12-7-13(18(24)10-17(12)23)11-22-16-9-14(20)8-15(21)19(16)25/h7-11,23-25H,2-6H2,1H3
InChIKey
QBDUFRUPHMMXJQ-UHFFFAOYSA-N
Compound name
4-[(3,5-dibromo-2-hydroxyphenyl)iminomethyl]-6-hexylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.98883 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.99611 183.0
[M+Na]+ 491.97805 191.3
[M-H]- 467.98155 189.4
[M+NH4]+ 487.02265 195.3
[M+K]+ 507.95199 173.8
[M+H-H2O]+ 451.98609 188.0
[M+HCOO]- 513.98703 196.1
[M+CH3COO]- 528.00268 228.2
[M+Na-2H]- 489.96350 184.2
[M]+ 468.98828 217.7
[M]- 468.98938 217.7
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.