CID 135867737

4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide

Structural Information

Molecular Formula
C18H18Br2N2O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C(=C2O)Br)O)Br
InChI
InChI=1S/C18H18Br2N2O3/c1-18(2,3)12-6-4-10(5-7-12)17(25)22-21-9-11-8-13(19)16(24)14(20)15(11)23/h4-9,23-24H,1-3H3,(H,22,25)/b21-9+
InChIKey
FVJUELRQTOWYRY-ZVBGSRNCSA-N
Compound name
4-tert-butyl-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

467.9684 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.97568 184.4
[M+Na]+ 490.95762 192.2
[M-H]- 466.96112 191.8
[M+NH4]+ 486.00222 196.7
[M+K]+ 506.93156 175.4
[M+H-H2O]+ 450.96566 188.8
[M+HCOO]- 512.96660 197.7
[M+CH3COO]- 526.98225 230.2
[M+Na-2H]- 488.94307 186.7
[M]+ 467.96785 217.7
[M]- 467.96895 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

literature stripe

Patent stripe

patents stripe