CID 135511255

4-bromo-n-[(e)-(2,4-dihydroxy-3,5,6-trimethyl-phenyl)methyleneamino]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C17H17BrN2O4
SMILES
CC1=C(C(=C(C(=C1/C=N/NC(=O)C2=C(C=C(C=C2)Br)O)O)C)O)C
InChI
InChI=1S/C17H17BrN2O4/c1-8-9(2)15(22)10(3)16(23)13(8)7-19-20-17(24)12-5-4-11(18)6-14(12)21/h4-7,21-23H,1-3H3,(H,20,24)/b19-7+
InChIKey
SKFDDDSNKIZSCQ-FBCYGCLPSA-N
Compound name
4-bromo-N-[(E)-(2,4-dihydroxy-3,5,6-trimethylphenyl)methylideneamino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.03717 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04445 181.0
[M+Na]+ 415.02639 191.6
[M-H]- 391.02989 188.3
[M+NH4]+ 410.07099 194.8
[M+K]+ 431.00033 178.8
[M+H-H2O]+ 375.03443 178.0
[M+HCOO]- 437.03537 200.2
[M+CH3COO]- 451.05102 219.7
[M+Na-2H]- 413.01184 181.8
[M]+ 392.03662 200.1
[M]- 392.03772 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.