CID 135515635

N'-[(e)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonohydrazide

Structural Information

Molecular Formula
C14H12Br2N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C14H12Br2N2O3S/c1-9-2-4-12(5-3-9)22(20,21)18-17-8-10-6-11(15)7-13(16)14(10)19/h2-8,18-19H,1H3/b17-8+
InChIKey
VWMCDTZTQNTHQB-CAOOACKPSA-N
Compound name
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.89355 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.90083 159.0
[M+Na]+ 468.88277 169.3
[M-H]- 444.88627 168.0
[M+NH4]+ 463.92737 173.2
[M+K]+ 484.85671 151.7
[M+H-H2O]+ 428.89081 164.6
[M+HCOO]- 490.89175 172.1
[M+CH3COO]- 504.90740 224.5
[M+Na-2H]- 466.86822 165.0
[M]+ 445.89300 194.6
[M]- 445.89410 194.6
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.