CID 135541690

118719-16-7

Structural Information

Molecular Formula
C14H13BrN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H13BrN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKey
PBEIAQYKTXKQGF-CXUHLZMHSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

367.98303 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99031 164.4
[M+Na]+ 390.97225 175.5
[M-H]- 366.97575 173.7
[M+NH4]+ 386.01685 180.5
[M+K]+ 406.94619 161.9
[M+H-H2O]+ 350.98029 162.3
[M+HCOO]- 412.98123 182.5
[M+CH3COO]- 426.99688 211.3
[M+Na-2H]- 388.95770 170.9
[M]+ 367.98248 185.1
[M]- 367.98358 185.1
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

patents stripe